CID 15579451

5-acetyl-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N
InChI
InChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKey
PYRWOBVBKMNBDM-UHFFFAOYSA-N
Compound name
5-acetyl-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

229.04088 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.048156 145.8
[M+Na]+ 252.030098 154.5
[M-H]- 228.033604 149.6
[M+NH4]+ 247.074703 163.8
[M+K]+ 268.004038 152.2
[M+H-H2O]+ 212.038140 140.0
[M+HCOO]- 274.039081 164.1
[M+CH3COO]- 288.054731 188.6
[M+Na-2H]- 250.015546 148.6
[M]+ 229.04033142 149.2
[M]- 229.04142858 149.2
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