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

No literature data available for this compound.

Patent stripe

patents stripe