CID 3417075

2-chloro-n-[(4-sulfamoylphenyl)methyl]acetamide

Structural Information

Molecular Formula
C9H11ClN2O3S
SMILES
C1=CC(=CC=C1CNC(=O)CCl)S(=O)(=O)N
InChI
InChI=1S/C9H11ClN2O3S/c10-5-9(13)12-6-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6H2,(H,12,13)(H2,11,14,15)
InChIKey
LTZYLTKHHXTVBQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-sulfamoylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.01788 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.025156 153.4
[M+Na]+ 285.007098 161.2
[M-H]- 261.010604 156.8
[M+NH4]+ 280.051703 170.5
[M+K]+ 300.981038 156.4
[M+H-H2O]+ 245.015140 148.1
[M+HCOO]- 307.016081 168.0
[M+CH3COO]- 321.031731 193.5
[M+Na-2H]- 282.992546 156.7
[M]+ 262.01733142 156.1
[M]- 262.01842858 156.1
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