CID 12619797

70958-70-2

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)N
InChI
InChI=1S/C9H11NO3S/c1-6-3-4-8(7(2)11)5-9(6)14(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKey
FOBJXKVZKYRFOO-UHFFFAOYSA-N
Compound name
5-acetyl-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

213.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 142.5
[M+Na]+ 236.03518 151.5
[M-H]- 212.03868 146.5
[M+NH4]+ 231.07978 161.4
[M+K]+ 252.00912 148.6
[M+H-H2O]+ 196.04322 137.0
[M+HCOO]- 258.04416 160.6
[M+CH3COO]- 272.05981 186.5
[M+Na-2H]- 234.02063 145.1
[M]+ 213.04541 144.6
[M]- 213.04651 144.6
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

No patent data available for this compound.