CID 83671419

2-(4,4-dimethylcyclohexyl)ethane-1-sulfonylchloride

Structural Information

Molecular Formula
C10H19ClO2S
SMILES
CC1(CCC(CC1)CCS(=O)(=O)Cl)C
InChI
InChI=1S/C10H19ClO2S/c1-10(2)6-3-9(4-7-10)5-8-14(11,12)13/h9H,3-8H2,1-2H3
InChIKey
OSPHLFYRZOPBKC-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07942 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08670 149.3
[M+Na]+ 261.06864 156.4
[M-H]- 237.07214 152.6
[M+NH4]+ 256.11324 170.5
[M+K]+ 277.04258 152.7
[M+H-H2O]+ 221.07668 146.1
[M+HCOO]- 283.07762 158.7
[M+CH3COO]- 297.09327 186.5
[M+Na-2H]- 259.05409 152.1
[M]+ 238.07887 151.1
[M]- 238.07997 151.1
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

No patent data available for this compound.