CID 785207

Phenyl cinnamate

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

InChIKey

NBFNGRDFKUJVIN-VAWYXSNFSA-N

Compound name

phenyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 469
Patents: 224.08372 Da
Monoisotopic Mass: 3.8
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]+	225.09100	150.8
[M+Na]+	247.07294	165.5
[M+NH4]+	242.11754	159.6
[M+K]+	263.04688	157.0
[M-H]-	223.07644	155.2
[M+Na-2H]-	245.05839	160.8
[M]+	224.08317	154.2
[M]-	224.08427	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe