CID 7686

4-nitrophenyloxamic acid

Structural Information

Molecular Formula
C8H6N2O5
SMILES
C1=CC(=CC=C1NC(=O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)
InChIKey
ZEJKSYPGUAUQKW-UHFFFAOYSA-N
Compound name
2-(4-nitroanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

9
Patents

210.02766 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03494 138.4
[M+Na]+ 233.01688 144.4
[M-H]- 209.02038 141.0
[M+NH4]+ 228.06148 154.9
[M+K]+ 248.99082 139.4
[M+H-H2O]+ 193.02492 136.8
[M+HCOO]- 255.02586 163.0
[M+CH3COO]- 269.04151 177.1
[M+Na-2H]- 231.00233 145.0
[M]+ 210.02711 135.8
[M]- 210.02821 135.8
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