CID 9578597

Benzaldehyde, m-fluoro-, (p-bromophenyl)hydrazone

Structural Information

Molecular Formula

C₁₃H₁₀BrFN₂

SMILES

C1=CC(=CC(=C1)F)/C=N/NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrFN2/c14-11-4-6-13(7-5-11)17-16-9-10-2-1-3-12(15)8-10/h1-9,17H/b16-9+

InChIKey

DGIJKUPGGWTPEE-CXUHLZMHSA-N

Compound name

4-bromo-N-[(E)-(3-fluorophenyl)methylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.00113 Da
Monoisotopic Mass: 4.3
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]+	293.008406	155.9
[M+Na]+	314.990348	166.6
[M-H]-	290.993854	165.0
[M+NH4]+	310.034953	175.0
[M+K]+	330.964288	153.9
[M+H-H2O]+	274.998390	152.9
[M+HCOO]-	336.999331	180.4
[M+CH3COO]-	351.014981	203.8
[M+Na-2H]-	312.975796	164.1
[M]+	292.00058142	172.6
[M]-	292.00167858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.