CID 146082217

(3,3-difluoro-1-methylcyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H13ClF2O2S
SMILES
CC1(CCCC(C1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClF2O2S/c1-7(6-14(9,12)13)3-2-4-8(10,11)5-7/h2-6H2,1H3
InChIKey
DNSAKZKBAZDIHE-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-methylcyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02928 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03656 142.3
[M+Na]+ 269.01850 151.0
[M-H]- 245.02200 143.4
[M+NH4]+ 264.06310 164.9
[M+K]+ 284.99244 147.4
[M+H-H2O]+ 229.02654 138.5
[M+HCOO]- 291.02748 150.3
[M+CH3COO]- 305.04313 185.7
[M+Na-2H]- 267.00395 146.8
[M]+ 246.02873 141.6
[M]- 246.02983 141.6
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.