PubChemLite - Dtxsid60895550 (C24H14F34I2)

Structural Information

Molecular Formula

SMILES

C(CCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

InChI

InChI=1S/C24H14F34I2/c25-9(26,11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)5-7(59)3-1-2-4-8(60)6-10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h7-8H,1-6H2

InChIKey

HVBADBGMDBTYFU-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluoro-10,15-diiodotetracosane

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]+	1202.8716	299.5
[M+Na]+	1224.8535	301.0
[M-H]-	1200.8570	308.7
[M+NH4]+	1219.8981	309.6
[M+K]+	1240.8275	314.6
[M+H-H2O]+	1184.8616	288.9
[M+HCOO]-	1246.8625	307.0
[M+CH3COO]-	1260.8782	279.6
[M+Na-2H]-	1222.8390	297.7
[M]+	1201.8638	294.2
[M]-	1201.8648	294.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1202.8716

299.5

[M+Na]+

1224.8535

301.0

[M-H]-

1200.8570

308.7

[M+NH4]+

1219.8981

309.6

[M+K]+

1240.8275

314.6

[M+H-H2O]+

1184.8616

288.9

[M+HCOO]-

1246.8625

307.0

[M+CH3COO]-

1260.8782

279.6

[M+Na-2H]-

1222.8390

297.7

[M]+

1201.8638

294.2

[M]-

1201.8648

294.2

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

Dtxsid60895550

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe