CID 577427

N-(2-chlorobenzylidene)-4-acetylaniline

Structural Information

Molecular Formula

C₁₅H₁₂ClNO

SMILES

CC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2Cl

InChI

InChI=1S/C15H12ClNO/c1-11(18)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16/h2-10H,1H3

InChIKey

WVYAARLSLNKEHT-UHFFFAOYSA-N

Compound name

1-[4-[(2-chlorophenyl)methylideneamino]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 257.06073 Da
Monoisotopic Mass: 3.5
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]+	258.06801	156.4
[M+Na]+	280.04995	165.2
[M-H]-	256.05345	164.5
[M+NH4]+	275.09455	174.5
[M+K]+	296.02389	159.9
[M+H-H2O]+	240.05799	149.4
[M+HCOO]-	302.05893	178.0
[M+CH3COO]-	316.07458	199.0
[M+Na-2H]-	278.03540	161.6
[M]+	257.06018	159.4
[M]-	257.06128	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe