CID 371800

4-phenoxyphthalonitrile

Structural Information

Molecular Formula

C₁₄H₈N₂O

SMILES

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

InChI

InChI=1S/C14H8N2O/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H

InChIKey

CRZSSXUMRNESCC-UHFFFAOYSA-N

Compound name

4-phenoxybenzene-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 197
Patents: 220.06366 Da
Monoisotopic Mass: 2.9
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]+	221.07094	175.1
[M+Na]+	243.05288	185.7
[M+NH4]+	238.09748	176.4
[M+K]+	259.02682	173.7
[M-H]-	219.05638	167.1
[M+Na-2H]-	241.03833	176.6
[M]+	220.06311	173.2
[M]-	220.06421	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe