CID 952073

221302-75-6

Structural Information

Molecular Formula

C₁₆H₁₂N₂O

SMILES

CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N

InChI

InChI=1S/C16H12N2O/c1-11-4-3-5-12(2)16(11)19-15-7-6-13(9-17)14(8-15)10-18/h3-8H,1-2H3

InChIKey

LJUVUOSWARAIBZ-UHFFFAOYSA-N

Compound name

4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 248.09496 Da
Monoisotopic Mass: 3.6
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]+	249.10224	177.6
[M+Na]+	271.08418	188.3
[M+NH4]+	266.12878	178.7
[M+K]+	287.05812	176.5
[M-H]-	247.08768	169.6
[M+Na-2H]-	269.06963	178.7
[M]+	248.09441	175.8
[M]-	248.09551	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe