CID 41748

4-chloro-2-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H6Cl2O2S
SMILES
CC1=C(C=CC(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H6Cl2O2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3
InChIKey
DTMRZJATPXTPSM-UHFFFAOYSA-N
Compound name
4-chloro-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

81
Patents

223.94655 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95383 144.0
[M+Na]+ 246.93577 158.4
[M+NH4]+ 241.98037 153.1
[M+K]+ 262.90971 149.5
[M-H]- 222.93927 145.4
[M+Na-2H]- 244.92122 150.4
[M]+ 223.94600 147.6
[M]- 223.94710 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe