CID 105502521

2-cyclohexyl-2-methoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H17ClO3S
SMILES
COC(CS(=O)(=O)Cl)C1CCCCC1
InChI
InChI=1S/C9H17ClO3S/c1-13-9(7-14(10,11)12)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKey
UJCJXHZWSNOHNI-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06598 149.9
[M+Na]+ 263.04792 155.4
[M-H]- 239.05142 152.8
[M+NH4]+ 258.09252 168.5
[M+K]+ 279.02186 152.5
[M+H-H2O]+ 223.05596 145.5
[M+HCOO]- 285.05690 158.9
[M+CH3COO]- 299.07255 185.7
[M+Na-2H]- 261.03337 151.4
[M]+ 240.05815 151.5
[M]- 240.05925 151.5
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.