CID 64735176

1343757-41-4

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CC1CC(CC(C1)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H15ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h6-8H,3-5H2,1-2H3
InChIKey
SBTQLDPVPSEMKH-UHFFFAOYSA-N
Compound name
3,5-dimethylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 141.3
[M+Na]+ 233.03735 149.4
[M-H]- 209.04085 145.1
[M+NH4]+ 228.08195 161.9
[M+K]+ 249.01129 145.9
[M+H-H2O]+ 193.04539 137.7
[M+HCOO]- 255.04633 151.3
[M+CH3COO]- 269.06198 182.1
[M+Na-2H]- 231.02280 142.9
[M]+ 210.04758 142.4
[M]- 210.04868 142.4
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.