CID 97949

89-23-6

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C15H14O3/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14,16H,10H2,(H,17,18)

InChIKey

GRCCNKUXWQWOKS-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)-2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 36
Patents: 242.0943 Da
Monoisotopic Mass: 3.0
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]+	243.101576	154.0
[M+Na]+	265.083518	159.8
[M-H]-	241.087024	157.9
[M+NH4]+	260.128123	169.5
[M+K]+	281.057458	156.0
[M+H-H2O]+	225.091560	147.0
[M+HCOO]-	287.092501	173.9
[M+CH3COO]-	301.108151	188.2
[M+Na-2H]-	263.068966	157.5
[M]+	242.09375142	152.4
[M]-	242.09484858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe