CID 3807992

3-amino-4-chloro-n-(2-methoxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C13H13ClN2O3S/c1-19-13-5-3-2-4-12(13)16-20(17,18)9-6-7-10(14)11(15)8-9/h2-8,16H,15H2,1H3
InChIKey
OXLXBFFFWUZIFQ-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(2-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.03354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.040816 166.4
[M+Na]+ 335.022758 175.7
[M-H]- 311.026264 173.5
[M+NH4]+ 330.067363 181.8
[M+K]+ 350.996698 169.9
[M+H-H2O]+ 295.030800 160.0
[M+HCOO]- 357.031741 182.1
[M+CH3COO]- 371.047391 204.4
[M+Na-2H]- 333.008206 170.5
[M]+ 312.03299142 170.5
[M]- 312.03408858 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