CID 33244

25938-97-0

Structural Information

Molecular Formula

C₁₃H₁₁BrN₂O

SMILES

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

InChI

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

InChIKey

UOBAMJPUTFDXHD-UHFFFAOYSA-N

Compound name

4-bromo-N'-phenylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	291.01278	156.0
[M+Na]+	312.99472	164.8
[M-H]-	288.99822	164.7
[M+NH4]+	308.03932	174.0
[M+K]+	328.96866	152.7
[M+H-H2O]+	273.00276	153.8
[M+HCOO]-	335.00370	179.2
[M+CH3COO]-	349.01935	200.6
[M+Na-2H]-	310.98017	163.9
[M]+	290.00495	172.2
[M]-	290.00605	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe