CID 12619796

3-acetylbenzenesulfonamide

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CC(=O)C1=CC(=CC=C1)S(=O)(=O)N
InChI
InChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey
ZLZNHLVBJWGUCV-UHFFFAOYSA-N
Compound name
3-acetylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

199.03032 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 140.7
[M+Na]+ 222.01954 151.0
[M+NH4]+ 217.06414 147.8
[M+K]+ 237.99348 145.2
[M-H]- 198.02304 141.2
[M+Na-2H]- 220.00499 145.6
[M]+ 199.02977 142.6
[M]- 199.03087 142.6
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