CID 213020

4-chloro-3-sulfamoyl-benzenecarboxamide

Structural Information

Molecular Formula
C7H7ClN2O3S
SMILES
C1=CC(=C(C=C1C(=O)N)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O3S/c8-5-2-1-4(7(9)11)3-6(5)14(10,12)13/h1-3H,(H2,9,11)(H2,10,12,13)
InChIKey
WRLKLPDTRUYBBV-UHFFFAOYSA-N
Compound name
4-chloro-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

233.98659 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99387 144.4
[M+Na]+ 256.97581 153.8
[M-H]- 232.97931 148.0
[M+NH4]+ 252.02041 162.5
[M+K]+ 272.94975 149.2
[M+H-H2O]+ 216.98385 139.8
[M+HCOO]- 278.98479 158.9
[M+CH3COO]- 293.00044 188.8
[M+Na-2H]- 254.96126 147.0
[M]+ 233.98604 145.8
[M]- 233.98714 145.8
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

No patent data available for this compound.