CID 2760661

(2-methylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CC1=CC=CC=C1CS(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKey
NDMREUGSHNSYBI-UHFFFAOYSA-N
Compound name
(2-methylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

204.00117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00845 137.3
[M+Na]+ 226.99039 147.7
[M-H]- 202.99389 141.9
[M+NH4]+ 222.03499 158.1
[M+K]+ 242.96433 143.4
[M+H-H2O]+ 186.99843 133.3
[M+HCOO]- 248.99937 151.7
[M+CH3COO]- 263.01502 179.8
[M+Na-2H]- 224.97584 142.2
[M]+ 204.00062 142.2
[M]- 204.00172 142.2
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

patents stripe