CID 65907034

(4-methylcyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CC1CCC(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h7-8H,2-6H2,1H3
InChIKey
MFZJRRWJAIIIOM-UHFFFAOYSA-N
Compound name
(4-methylcyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 142.2
[M+Na]+ 233.03735 149.4
[M-H]- 209.04085 145.7
[M+NH4]+ 228.08195 162.6
[M+K]+ 249.01129 145.9
[M+H-H2O]+ 193.04539 138.4
[M+HCOO]- 255.04633 152.3
[M+CH3COO]- 269.06198 181.0
[M+Na-2H]- 231.02280 144.4
[M]+ 210.04758 143.0
[M]- 210.04868 143.0
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.