CID 51297

Benzoic acid, 2-(p-bromophenyl)hydrazide

Structural Information

Molecular Formula

C₁₃H₁₁BrN₂O

SMILES

C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrN2O/c14-11-6-8-12(9-7-11)15-16-13(17)10-4-2-1-3-5-10/h1-9,15H,(H,16,17)

InChIKey

KZHOELBZQPKRQA-UHFFFAOYSA-N

Compound name

N'-(4-bromophenyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 290.0055 Da
Monoisotopic Mass: 3.8
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]+	291.012776	156.0
[M+Na]+	312.994718	164.8
[M-H]-	288.998224	164.7
[M+NH4]+	308.039323	174.0
[M+K]+	328.968658	152.7
[M+H-H2O]+	273.002760	153.8
[M+HCOO]-	335.003701	179.2
[M+CH3COO]-	349.019351	200.6
[M+Na-2H]-	310.980166	163.9
[M]+	290.00495142	172.2
[M]-	290.00604858	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe