CID 19027325

(perfluoroheptyl)methanesulfonic acid

Structural Information

Molecular Formula
C8H3F15O3S
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C8H3F15O3S/c9-2(10,1-27(24,25)26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2,(H,24,25,26)
InChIKey
FSVJFJWJQWUNCW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

463.95633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.96361 158.4
[M+Na]+ 486.94555 162.1
[M-H]- 462.94905 163.5
[M+NH4]+ 481.99015 166.1
[M+K]+ 502.91949 168.9
[M+H-H2O]+ 446.95359 166.3
[M+HCOO]- 508.95453 179.2
[M+CH3COO]- 522.97018 224.9
[M+Na-2H]- 484.93100 184.6
[M]+ 463.95578 159.8
[M]- 463.95688 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe