CID 169502037

Diclofenac-o-imine-methine

Structural Information

Molecular Formula

C₁₃H₉Cl₂N

SMILES

C=C1C=CC=CC1=NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H9Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8H,1H2

InChIKey

ORCBPRUTYDPFLS-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)-6-methylidenecyclohexa-2,4-dien-1-imine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 249.0112 Da
Monoisotopic Mass: 4.8
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]+	250.018476	152.6
[M+Na]+	272.000418	162.9
[M-H]-	248.003924	160.0
[M+NH4]+	267.045023	171.7
[M+K]+	287.974358	155.8
[M+H-H2O]+	232.008460	146.8
[M+HCOO]-	294.009401	168.9
[M+CH3COO]-	308.025051	196.1
[M+Na-2H]-	269.985866	157.3
[M]+	249.01065142	154.1
[M]-	249.01174858	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.