PubChemLite - Dtxsid40895437 (C30H41F21)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCC(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

InChI

InChI=1S/C30H41F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)27(43,44)28(45,46)29(47,48)30(49,50)51/h2-20H2,1H3

InChIKey

LMHKETIJEOERBE-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-henicosafluorotriacontane

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]+	801.29458	153.2
[M+Na]+	823.27652	153.2
[M+NH4]+	818.32112	153.3
[M+K]+	839.25046	153.2
[M-H]-	799.28002	153.2
[M+Na-2H]-	821.26197	153.2
[M]+	800.28675	153.2
[M]-	800.28785	153.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

801.29458

153.2

[M+Na]+

823.27652

153.2

[M+NH4]+

818.32112

153.3

[M+K]+

839.25046

153.2

[M-H]-

799.28002

153.2

[M+Na-2H]-

821.26197

153.2

[M]+

800.28675

153.2

[M]-

800.28785

153.2

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

Dtxsid40895437

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe