CID 43787

3-phenoxybenzoyl cyanide

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

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

InChI

InChI=1S/C14H9NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H

InChIKey

RBJUQCDEOCYPBM-UHFFFAOYSA-N

Compound name

3-phenoxybenzoyl cyanide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 223.06332 Da
Monoisotopic Mass: 4.0
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]+	224.07060	151.8
[M+Na]+	246.05254	165.7
[M+NH4]+	241.09714	156.9
[M+K]+	262.02648	155.1
[M-H]-	222.05604	148.5
[M+Na-2H]-	244.03799	158.4
[M]+	223.06277	152.1
[M]-	223.06387	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe