CID 21124190

Perfluoro-2-cyclohexylethane-1-sulfonic acid

Structural Information

Molecular Formula
C8HF15O3S
SMILES
C1(C(C(C(C(C1(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C8HF15O3S/c9-1(3(12,13)8(21,22)23)2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)27(24,25)26/h(H,24,25,26)
InChIKey
UAJLPCWWBKHFTD-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6-decafluoro-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

461.94067 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.94795 161.7
[M+Na]+ 484.92989 176.3
[M-H]- 460.93339 148.7
[M+NH4]+ 479.97449 180.0
[M+K]+ 500.90383 173.0
[M+H-H2O]+ 444.93793 153.5
[M+HCOO]- 506.93887 157.4
[M+CH3COO]- 520.95452 223.4
[M+Na-2H]- 482.91534 167.8
[M]+ 461.94012 145.7
[M]- 461.94122 145.7
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