CID 16768880

229006-83-1

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

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

InChI

InChI=1S/C15H12O2/c16-15(17)10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-11H,(H,16,17)/b10-9+

InChIKey

QQQNPVHFBDPNNA-MDZDMXLPSA-N

Compound name

(E)-3-(3-phenylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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]+	225.090996	149.3
[M+Na]+	247.072938	156.4
[M-H]-	223.076444	154.7
[M+NH4]+	242.117543	166.5
[M+K]+	263.046878	151.7
[M+H-H2O]+	207.080980	142.3
[M+HCOO]-	269.081921	171.8
[M+CH3COO]-	283.097571	186.2
[M+Na-2H]-	245.058386	154.5
[M]+	224.08317142	148.0
[M]-	224.08426858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe