CID 110051

Decafluoro(trifluoromethyl)cyclohexanesulfonyl fluoride

Structural Information

Molecular Formula
C7F14O2S
SMILES
C1(C(C(C(C(C1(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7F14O2S/c8-1(7(18,19)20)2(9,10)3(11,12)4(13,14)5(15,16)6(1,17)24(21,22)23
InChIKey
SLYWOXPMQGKVAU-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6-decafluoro-6-(trifluoromethyl)cyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

413.93954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.94682 149.3
[M+Na]+ 436.92876 164.6
[M-H]- 412.93226 138.6
[M+NH4]+ 431.97336 170.3
[M+K]+ 452.90270 161.3
[M+H-H2O]+ 396.93680 140.7
[M+HCOO]- 458.93774 148.6
[M+CH3COO]- 472.95339 218.1
[M+Na-2H]- 434.91421 154.7
[M]+ 413.93899 135.1
[M]- 413.94009 135.1
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