CID 124074

5-bromosalicylanilide

Structural Information

Molecular Formula

C₁₃H₁₀BrNO₂

SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H10BrNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)

InChIKey

RIFLOVCLRMLWFW-UHFFFAOYSA-N

Compound name

5-bromo-2-hydroxy-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 92
Patents: 290.9895 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.99678	156.0
[M+Na]+	313.97872	166.1
[M-H]-	289.98222	164.0
[M+NH4]+	309.02332	174.0
[M+K]+	329.95266	154.0
[M+H-H2O]+	273.98676	154.7
[M+HCOO]-	335.98770	177.1
[M+CH3COO]-	350.00335	196.7
[M+Na-2H]-	311.96417	162.5
[M]+	290.98895	173.0
[M]-	290.99005	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe