CID 487715

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

Structural Information

Molecular Formula
C13H9BrN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C13H9BrN2O4/c14-8-4-5-12(17)11(6-8)13(18)15-9-2-1-3-10(7-9)16(19)20/h1-7,17H,(H,15,18)
InChIKey
PBHXUHVWFDACKU-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.97458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98186 165.0
[M+Na]+ 358.96380 173.8
[M-H]- 334.96730 172.9
[M+NH4]+ 354.00840 180.2
[M+K]+ 374.93774 158.2
[M+H-H2O]+ 318.97184 166.8
[M+HCOO]- 380.97278 186.8
[M+CH3COO]- 394.98843 198.8
[M+Na-2H]- 356.94925 171.8
[M]+ 335.97403 181.6
[M]- 335.97513 181.6
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

No patent data available for this compound.