CID 64400942

4,4-dimethylcyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CC1(CCC(CC1)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H15ClO2S/c1-8(2)5-3-7(4-6-8)12(9,10)11/h7H,3-6H2,1-2H3
InChIKey
TZIFXIKYTZVVKH-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 140.5
[M+Na]+ 233.03735 148.4
[M-H]- 209.04085 144.1
[M+NH4]+ 228.08195 162.7
[M+K]+ 249.01129 145.2
[M+H-H2O]+ 193.04539 137.6
[M+HCOO]- 255.04633 150.5
[M+CH3COO]- 269.06198 180.5
[M+Na-2H]- 231.02280 144.3
[M]+ 210.04758 141.5
[M]- 210.04868 141.5
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.