CID 220803

2-hydroxy-5-nitro-n-phenylbenzamide

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H10N2O4/c16-12-7-6-10(15(18)19)8-11(12)13(17)14-9-4-2-1-3-5-9/h1-8,16H,(H,14,17)
InChIKey
BZVYEQLTYLFTNH-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

258.06406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 153.1
[M+Na]+ 281.05328 158.8
[M-H]- 257.05678 158.8
[M+NH4]+ 276.09788 167.6
[M+K]+ 297.02722 151.7
[M+H-H2O]+ 241.06132 150.1
[M+HCOO]- 303.06226 178.0
[M+CH3COO]- 317.07791 188.2
[M+Na-2H]- 279.03873 160.2
[M]+ 258.06351 150.3
[M]- 258.06461 150.3
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

No patent data available for this compound.