CID 478810

2-hydroxy-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H10N2O4/c16-12-7-2-1-6-11(12)13(17)14-9-4-3-5-10(8-9)15(18)19/h1-8,16H,(H,14,17)
InChIKey
SCYTUPMUFNZIQE-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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

literature stripe

Patent stripe

patents stripe