CID 82691

4'-bromo-3-nitrosalicylanilide

Structural Information

Molecular Formula
C13H9BrN2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)
InChIKey
HKSUGCYEZHTCIO-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.97458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98186 165.8
[M+Na]+ 358.96380 169.4
[M+NH4]+ 354.00840 169.2
[M+K]+ 374.93774 172.1
[M-H]- 334.96730 168.6
[M+Na-2H]- 356.94925 169.6
[M]+ 335.97403 165.7
[M]- 335.97513 165.7
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