CID 112756377

(3,3-difluorocyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CC(CC(C1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-6-2-1-3-7(9,10)4-6/h6H,1-5H2
InChIKey
QSPHSERFSNKLAW-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02092 140.2
[M+Na]+ 255.00286 148.5
[M-H]- 231.00636 141.1
[M+NH4]+ 250.04746 161.3
[M+K]+ 270.97680 144.7
[M+H-H2O]+ 215.01090 135.5
[M+HCOO]- 277.01184 148.5
[M+CH3COO]- 291.02749 182.9
[M+Na-2H]- 252.98831 143.4
[M]+ 232.01309 138.6
[M]- 232.01419 138.6
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.