PubChemLite - Nonatetracontafluoro-24-iodotetracosane (C24F49I)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24F49I/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74

InChIKey

JRJHYWMITKGGTN-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24-nonatetracontafluoro-24-iodotetracosane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1346.8335	300.0
[M+Na]+	1368.8154	300.5
[M-H]-	1344.8189	310.6
[M+NH4]+	1363.8600	307.4
[M+K]+	1384.7894	311.2
[M+H-H2O]+	1328.8235	292.2
[M+HCOO]-	1390.8244	307.3
[M+CH3COO]-	1404.8401	272.0
[M+Na-2H]-	1366.8009	302.7
[M]+	1345.8257	288.8
[M]-	1345.8267	288.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1346.8335

300.0

[M+Na]+

1368.8154

300.5

[M-H]-

1344.8189

310.6

[M+NH4]+

1363.8600

307.4

[M+K]+

1384.7894

311.2

[M+H-H2O]+

1328.8235

292.2

[M+HCOO]-

1390.8244

307.3

[M+CH3COO]-

1404.8401

272.0

[M+Na-2H]-

1366.8009

302.7

[M]+

1345.8257

288.8

[M]-

1345.8267

288.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nonatetracontafluoro-24-iodotetracosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe