Hexatetracontafluorodocosane (C22F46)

Structural Information

Molecular Formula

SMILES

C(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)(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

InChI

InChI=1S/C22F46/c23-1(24,3(27,28)5(31,32)7(35,36)9(39,40)11(43,44)13(47,48)15(51,52)17(55,56)19(59,60)21(63,64)65)2(25,26)4(29,30)6(33,34)8(37,38)10(41,42)12(45,46)14(49,50)16(53,54)18(57,58)20(61,62)22(66,67)68

InChIKey

WZMYHHQUGKBPNU-UHFFFAOYSA-N

Compound name

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

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]+	1138.933776	266.8
[M+Na]+	1160.915718	267.6
[M-H]-	1136.919224	278.4
[M+NH4]+	1155.960323	275.6
[M+K]+	1176.889658	280.3
[M+H-H2O]+	1120.923760	257.7
[M+HCOO]-	1182.924701	276.5
[M+CH3COO]-	1196.940351	273.5
[M+Na-2H]-	1158.901166	271.5
[M]+	1137.92595142	257.0
[M]-	1137.92704858	257.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1138.933776

266.8

[M+Na]+

1160.915718

267.6

[M-H]-

1136.919224

278.4

[M+NH4]+

1155.960323

275.6

[M+K]+

1176.889658

280.3

[M+H-H2O]+

1120.923760

257.7

[M+HCOO]-

1182.924701

276.5

[M+CH3COO]-

1196.940351

273.5

[M+Na-2H]-

1158.901166

271.5

[M]+

1137.92595142

257.0

[M]-

1137.92704858

257.0

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

Hexatetracontafluorodocosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe