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

11
Patents

335.97458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.981856 165.0
[M+Na]+ 358.963798 173.8
[M-H]- 334.967304 172.9
[M+NH4]+ 354.008403 180.2
[M+K]+ 374.937738 158.2
[M+H-H2O]+ 318.971840 166.8
[M+HCOO]- 380.972781 186.8
[M+CH3COO]- 394.988431 198.8
[M+Na-2H]- 356.949246 171.8
[M]+ 335.97403142 181.6
[M]- 335.97512858 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

No literature data available for this compound.

Patent stripe

patents stripe