CID 132398539

4-(difluoromethyl)cyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CC(CCC1C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h5-7H,1-4H2
InChIKey
SEOHBDJKVRTYQU-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)cyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020916 141.0
[M+Na]+ 255.002858 148.3
[M-H]- 231.006364 141.7
[M+NH4]+ 250.047463 160.1
[M+K]+ 270.976798 144.6
[M+H-H2O]+ 215.010900 135.4
[M+HCOO]- 277.011841 148.2
[M+CH3COO]- 291.027491 184.2
[M+Na-2H]- 252.988306 141.6
[M]+ 232.01309142 138.5
[M]- 232.01418858 138.5
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.