CID 6861534

Compound 1e [pmid: 27285276]

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+

InChIKey

YJGPDMQKIPQVLX-MHWRWJLKSA-N

Compound name

N-[(E)-(4-chlorophenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 258.056 Da
Monoisotopic Mass: 3.2
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]+	259.063276	156.8
[M+Na]+	281.045218	164.3
[M-H]-	257.048724	164.6
[M+NH4]+	276.089823	174.3
[M+K]+	297.019158	159.1
[M+H-H2O]+	241.053260	149.4
[M+HCOO]-	303.054201	179.8
[M+CH3COO]-	317.069851	199.1
[M+Na-2H]-	279.030666	163.5
[M]+	258.05545142	158.2
[M]-	258.05654858	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe