CID 16784452

4-methoxy-2-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C7H8N2O5S
SMILES
COC1=CC(=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O5S/c1-14-5-2-3-7(15(8,12)13)6(4-5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChIKey
MELAWMCOLMMBNG-UHFFFAOYSA-N
Compound name
4-methoxy-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

232.0154 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02268 142.3
[M+Na]+ 255.00462 152.9
[M+NH4]+ 250.04922 148.7
[M+K]+ 270.97856 150.6
[M-H]- 231.00812 143.7
[M+Na-2H]- 252.99007 146.8
[M]+ 232.01485 144.3
[M]- 232.01595 144.3
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

patents stripe