CID 259744

2-chloro-p-toluenesulfochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

499
Patents

223.94655 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe