CID 139597043

6h-perfluoroheptanesulfonic acid

Structural Information

Molecular Formula
C7H2F14O3S
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H2F14O3S/c8-1(3(11,12)13)2(9,10)4(14,15)5(16,17)6(18,19)7(20,21)25(22,23)24/h1H,(H,22,23,24)
InChIKey
SDHHTNKPXBIUHM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

431.9501 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.95738 171.4
[M+Na]+ 454.93932 179.6
[M-H]- 430.94282 159.9
[M+NH4]+ 449.98392 163.0
[M+K]+ 470.91326 176.4
[M+H-H2O]+ 414.94736 157.3
[M+HCOO]- 476.94830 173.9
[M+CH3COO]- 490.96395 219.6
[M+Na-2H]- 452.92477 173.7
[M]+ 431.94955 155.8
[M]- 431.95065 155.8
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

No patent data available for this compound.