CID 4092839

3645-69-0

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

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

InChI

InChI=1S/C17H14O3/c18-16(11-8-13-4-2-1-3-5-13)15-9-6-14(7-10-15)12-17(19)20/h1-11H,12H2,(H,19,20)

InChIKey

FUBIEIGQPXUXNV-UHFFFAOYSA-N

Compound name

2-[4-(3-phenylprop-2-enoyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 266.0943 Da
Monoisotopic Mass: 2.5
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]+	267.101576	160.7
[M+Na]+	289.083518	166.7
[M-H]-	265.087024	165.7
[M+NH4]+	284.128123	175.8
[M+K]+	305.057458	162.1
[M+H-H2O]+	249.091560	153.1
[M+HCOO]-	311.092501	181.8
[M+CH3COO]-	325.108151	194.3
[M+Na-2H]-	287.068966	163.5
[M]+	266.09375142	160.1
[M]-	266.09484858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe