CID 50987783

4-methylcyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
CC1CCC(CC1)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3
InChIKey
BJYALKVVPOIVFB-UHFFFAOYSA-N
Compound name
4-methylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.03249 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 137.8
[M+Na]+ 219.02171 145.4
[M-H]- 195.02521 141.4
[M+NH4]+ 214.06631 158.6
[M+K]+ 234.99565 142.1
[M+H-H2O]+ 179.02975 134.1
[M+HCOO]- 241.03069 148.1
[M+CH3COO]- 255.04634 177.9
[M+Na-2H]- 217.00716 140.4
[M]+ 196.03194 138.1
[M]- 196.03304 138.1
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

patents stripe