CID 112639863

(4,4-difluorocyclohexyl)methanesulfonamide

Structural Information

Molecular Formula
C7H13F2NO2S
SMILES
C1CC(CCC1CS(=O)(=O)N)(F)F
InChI
InChI=1S/C7H13F2NO2S/c8-7(9)3-1-6(2-4-7)5-13(10,11)12/h6H,1-5H2,(H2,10,11,12)
InChIKey
RLWQXEWBKNBBGJ-UHFFFAOYSA-N
Compound name
(4,4-difluorocyclohexyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0635 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07078 140.0
[M+Na]+ 236.05272 146.8
[M-H]- 212.05622 140.0
[M+NH4]+ 231.09732 160.3
[M+K]+ 252.02666 144.2
[M+H-H2O]+ 196.06076 133.9
[M+HCOO]- 258.06170 152.9
[M+CH3COO]- 272.07735 183.3
[M+Na-2H]- 234.03817 142.9
[M]+ 213.06295 134.7
[M]- 213.06405 134.7
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

No patent data available for this compound.