CID 684083

N-(4-acetylphenyl)methanesulfonamide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)10-14(2,12)13/h3-6,10H,1-2H3
InChIKey
BQBFGIIQPXLTKM-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

141
Patents

213.04596 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 142.7
[M+Na]+ 236.03518 150.9
[M-H]- 212.03868 146.9
[M+NH4]+ 231.07978 161.6
[M+K]+ 252.00912 148.3
[M+H-H2O]+ 196.04322 137.0
[M+HCOO]- 258.04416 161.5
[M+CH3COO]- 272.05981 185.9
[M+Na-2H]- 234.02063 147.0
[M]+ 213.04541 145.4
[M]- 213.04651 145.4
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