CID 4548463

Hydroxy-phenyl-p-tolyl-acetic acid

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C15H14O3/c1-11-7-9-13(10-8-11)15(18,14(16)17)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17)

InChIKey

CINSFZZGMRTJKZ-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(4-methylphenyl)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 242.0943 Da
Monoisotopic Mass: 2.7
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	153.6
[M+Na]+	265.083518	160.1
[M-H]-	241.087024	157.8
[M+NH4]+	260.128123	169.3
[M+K]+	281.057458	156.3
[M+H-H2O]+	225.091560	147.2
[M+HCOO]-	287.092501	172.9
[M+CH3COO]-	301.108151	187.6
[M+Na-2H]-	263.068966	159.1
[M]+	242.09375142	152.2
[M]-	242.09484858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe