CID 163196

68156-07-0

Structural Information

Molecular Formula
C7HF13O3S
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C7HF13O3S/c8-2(9)1(7(18,19)20,24(21,22)23)3(10,11)5(14,15)6(16,17)4(2,12)13/h(H,21,22,23)
InChIKey
MNVKTKIHXLQSLM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

411.94388 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.95116 177.5
[M+Na]+ 434.93310 177.5
[M+NH4]+ 429.97770 177.7
[M+K]+ 450.90704 174.9
[M-H]- 410.93660 173.3
[M+Na-2H]- 432.91855 177.0
[M]+ 411.94333 176.3
[M]- 411.94443 176.3
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