CID 12137520

59208-55-8

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

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

InChI

InChI=1S/C15H14O3/c1-10-2-4-11(5-3-10)8-14(17)13-7-6-12(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3

InChIKey

QWJBLSOLPSJDRG-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 242.0943 Da
Monoisotopic Mass: 3.4
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	153.1
[M+Na]+	265.083518	161.1
[M-H]-	241.087024	157.8
[M+NH4]+	260.128123	169.4
[M+K]+	281.057458	156.9
[M+H-H2O]+	225.091560	146.5
[M+HCOO]-	287.092501	174.0
[M+CH3COO]-	301.108151	189.7
[M+Na-2H]-	263.068966	156.4
[M]+	242.09375142	153.0
[M]-	242.09484858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe