CID 2736235

3,5-dimethylbenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

204.00117 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe