CID 522734

3-chloro-2-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H6Cl2O2S
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChIKey
ZSIYKAQPQRTBPF-UHFFFAOYSA-N
Compound name
3-chloro-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

723
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 137.7
[M+Na]+ 246.93577 149.5
[M-H]- 222.93927 142.3
[M+NH4]+ 241.98037 158.4
[M+K]+ 262.90971 144.3
[M+H-H2O]+ 206.94381 135.0
[M+HCOO]- 268.94475 147.3
[M+CH3COO]- 282.96040 182.8
[M+Na-2H]- 244.92122 141.8
[M]+ 223.94600 143.5
[M]- 223.94710 143.5
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