CID 706824

N-(3-acetylphenyl)methanesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

100
Patents

213.04596 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 145.0
[M+Na]+ 236.03518 155.4
[M+NH4]+ 231.07978 152.1
[M+K]+ 252.00912 149.2
[M-H]- 212.03868 145.7
[M+Na-2H]- 234.02063 150.2
[M]+ 213.04541 147.0
[M]- 213.04651 147.0
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