CID 3690288

325745-59-3

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C13H13ClN2O3S/c1-19-10-4-2-9(3-5-10)16-20(17,18)11-6-7-12(14)13(15)8-11/h2-8,16H,15H2,1H3
InChIKey
KAJKBEQFFLXVHE-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.03354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04082 166.4
[M+Na]+ 335.02276 175.7
[M-H]- 311.02626 173.5
[M+NH4]+ 330.06736 181.8
[M+K]+ 350.99670 169.9
[M+H-H2O]+ 295.03080 160.0
[M+HCOO]- 357.03174 182.1
[M+CH3COO]- 371.04739 204.4
[M+Na-2H]- 333.00821 170.5
[M]+ 312.03299 170.5
[M]- 312.03409 170.5
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