CID 79018135

5-methoxy-2-nitrobenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.4
[M+Na]+ 255.00462 150.2
[M-H]- 231.00812 146.2
[M+NH4]+ 250.04922 159.2
[M+K]+ 270.97856 143.8
[M+H-H2O]+ 215.01266 140.8
[M+HCOO]- 277.01360 162.9
[M+CH3COO]- 291.02925 181.3
[M+Na-2H]- 252.99007 149.3
[M]+ 232.01485 142.9
[M]- 232.01595 142.9
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