CID 163194

68156-01-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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 169.8
[M+Na]+ 484.92989 169.8
[M+NH4]+ 479.97449 169.8
[M+K]+ 500.90383 168.7
[M-H]- 460.93339 167.3
[M+Na-2H]- 482.91534 169.8
[M]+ 461.94012 169.1
[M]- 461.94122 169.1
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