CID 769159

42095-80-7

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

CCC(=O)NNC1=CC=C(C=C1)Br

InChI

InChI=1S/C9H11BrN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13)

InChIKey

QJWLIGNFPMIGKX-UHFFFAOYSA-N

Compound name

N'-(4-bromophenyl)propanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 242.00548 Da
Monoisotopic Mass: 2.6
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]+	243.012756	144.4
[M+Na]+	264.994698	153.9
[M-H]-	240.998204	150.4
[M+NH4]+	260.039303	164.8
[M+K]+	280.968638	142.6
[M+H-H2O]+	225.002740	143.0
[M+HCOO]-	287.003681	167.5
[M+CH3COO]-	301.019331	193.3
[M+Na-2H]-	262.980146	151.9
[M]+	242.00493142	161.5
[M]-	242.00602858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.