CID 12619796

35203-88-4

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

67
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 138.8
[M+Na]+ 222.01954 147.4
[M-H]- 198.02304 142.6
[M+NH4]+ 217.06414 157.9
[M+K]+ 237.99348 144.7
[M+H-H2O]+ 182.02758 133.2
[M+HCOO]- 244.02852 157.3
[M+CH3COO]- 258.04417 182.2
[M+Na-2H]- 220.00499 142.5
[M]+ 199.02977 140.1
[M]- 199.03087 140.1
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