CID 9570816

73806-33-4

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O₂

SMILES

COC1=CC=C(C=C1)/C(=C/2\C=C/C(=N\O)/C(=C2)Cl)/C#N

InChI

InChI=1S/C15H11ClN2O2/c1-20-12-5-2-10(3-6-12)13(9-17)11-4-7-15(18-19)14(16)8-11/h2-8,19H,1H3/b13-11+,18-15+

InChIKey

DFEWDPRFZHMTII-COWYBJPUSA-N

Compound name

(2Z)-2-[(4E)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.0509 Da
Monoisotopic Mass: 3.3
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]+	287.058176	168.5
[M+Na]+	309.040118	179.1
[M-H]-	285.043624	174.0
[M+NH4]+	304.084723	183.1
[M+K]+	325.014058	172.0
[M+H-H2O]+	269.048160	155.5
[M+HCOO]-	331.049101	184.0
[M+CH3COO]-	345.064751	210.8
[M+Na-2H]-	307.025566	170.7
[M]+	286.05035142	164.4
[M]-	286.05144858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.