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]+ 233.022676 142.4
[M+Na]+ 255.004618 150.2
[M-H]- 231.008124 146.2
[M+NH4]+ 250.049223 159.2
[M+K]+ 270.978558 143.8
[M+H-H2O]+ 215.012660 140.8
[M+HCOO]- 277.013601 162.9
[M+CH3COO]- 291.029251 181.3
[M+Na-2H]- 252.990066 149.3
[M]+ 232.01485142 142.9
[M]- 232.01594858 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