CID 84689519

(2,2-dimethylcyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C9H17ClO2S
SMILES
CC1(CCCCC1CS(=O)(=O)Cl)C
InChI
InChI=1S/C9H17ClO2S/c1-9(2)6-4-3-5-8(9)7-13(10,11)12/h8H,3-7H2,1-2H3
InChIKey
NGWCOIJHOMYXAH-UHFFFAOYSA-N
Compound name
(2,2-dimethylcyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07106 144.9
[M+Na]+ 247.05300 152.4
[M-H]- 223.05650 148.4
[M+NH4]+ 242.09760 166.6
[M+K]+ 263.02694 149.0
[M+H-H2O]+ 207.06104 141.8
[M+HCOO]- 269.06198 154.6
[M+CH3COO]- 283.07763 183.5
[M+Na-2H]- 245.03845 148.2
[M]+ 224.06323 146.3
[M]- 224.06433 146.3
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.