CID 264587

N-phenylbenzimidoyl chloride

Structural Information

Molecular Formula

C₁₃H₁₀ClN

SMILES

C1=CC=C(C=C1)C(=NC2=CC=CC=C2)Cl

InChI

InChI=1S/C13H10ClN/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChIKey

WFOFSUPMQDLYOM-UHFFFAOYSA-N

Compound name

N-phenylbenzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 66
Patents: 215.05017 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]+	216.057446	145.4
[M+Na]+	238.039388	153.0
[M-H]-	214.042894	153.0
[M+NH4]+	233.083993	164.7
[M+K]+	254.013328	148.0
[M+H-H2O]+	198.047430	138.5
[M+HCOO]-	260.048371	167.2
[M+CH3COO]-	274.064021	189.7
[M+Na-2H]-	236.024836	153.1
[M]+	215.04962142	146.1
[M]-	215.05071858	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe