CID 679488

3,4-dimethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H11NO4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)OC
InChI
InChI=1S/C8H11NO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
MEZNPUULYGXXFL-UHFFFAOYSA-N
Compound name
3,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

217.04088 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04816 142.5
[M+Na]+ 240.03010 151.7
[M-H]- 216.03360 146.4
[M+NH4]+ 235.07470 161.2
[M+K]+ 256.00404 149.6
[M+H-H2O]+ 200.03814 136.7
[M+HCOO]- 262.03908 162.0
[M+CH3COO]- 276.05473 185.6
[M+Na-2H]- 238.01555 146.8
[M]+ 217.04033 146.9
[M]- 217.04143 146.9
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