CID 14763060

58734-57-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

187.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 135.3
[M+Na]+ 210.01954 144.4
[M-H]- 186.02304 139.2
[M+NH4]+ 205.06414 155.1
[M+K]+ 225.99348 142.0
[M+H-H2O]+ 170.02758 129.8
[M+HCOO]- 232.02852 155.0
[M+CH3COO]- 246.04417 179.2
[M+Na-2H]- 208.00499 140.6
[M]+ 187.02977 137.6
[M]- 187.03087 137.6
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