CID 2799397

2,4-dichloro-5-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H7Cl2NO2S
SMILES
CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H7Cl2NO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKey
WBEVHKJVBJYFLT-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

238.95746 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.964736 143.2
[M+Na]+ 261.946678 154.8
[M-H]- 237.950184 147.3
[M+NH4]+ 256.991283 162.8
[M+K]+ 277.920618 149.0
[M+H-H2O]+ 221.954720 140.3
[M+HCOO]- 283.955661 153.0
[M+CH3COO]- 297.971311 188.0
[M+Na-2H]- 259.932126 146.0
[M]+ 238.95691142 147.6
[M]- 238.95800858 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