CID 70789

4-methoxybenzenesulfonamide

Structural Information

Molecular Formula
C7H9NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
MSFQEZBRFPAFEX-UHFFFAOYSA-N
Compound name
4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

7319
Patents

187.03032 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.0
[M+Na]+ 210.01954 147.7
[M+NH4]+ 205.06414 144.6
[M+K]+ 225.99348 141.5
[M-H]- 186.02304 138.0
[M+Na-2H]- 208.00499 142.5
[M]+ 187.02977 139.1
[M]- 187.03087 139.1
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