CID 69109

2,4-dimethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H9ClO2S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3
InChIKey
FREOGXBZEAMJQN-UHFFFAOYSA-N
Compound name
2,4-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

373
Patents

204.00117 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00845 136.3
[M+Na]+ 226.99039 147.6
[M-H]- 202.99389 141.3
[M+NH4]+ 222.03499 157.5
[M+K]+ 242.96433 143.4
[M+H-H2O]+ 186.99843 132.6
[M+HCOO]- 248.99937 150.6
[M+CH3COO]- 263.01502 181.0
[M+Na-2H]- 224.97584 140.7
[M]+ 204.00062 141.6
[M]- 204.00172 141.6
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