CID 522804

4-benzyloxyphenylacetonitrile

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2

InChIKey

QKEYZRVDFZDOEP-UHFFFAOYSA-N

Compound name

2-(4-phenylmethoxyphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 112
Patents: 223.09972 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]+	224.10700	153.6
[M+Na]+	246.08894	168.1
[M+NH4]+	241.13354	159.4
[M+K]+	262.06288	156.2
[M-H]-	222.09244	151.2
[M+Na-2H]-	244.07439	160.8
[M]+	223.09917	154.4
[M]-	223.10027	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe