CID 138005

3669-41-8

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

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

InChI

InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2

InChIKey

VFQKAJVKZKHVPD-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxyphenyl)-2-phenylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 155
Patents: 228.07864 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]+	229.085916	148.9
[M+Na]+	251.067858	156.4
[M-H]-	227.071364	153.4
[M+NH4]+	246.112463	165.5
[M+K]+	267.041798	152.4
[M+H-H2O]+	211.075900	142.3
[M+HCOO]-	273.076841	170.2
[M+CH3COO]-	287.092491	185.4
[M+Na-2H]-	249.053306	153.5
[M]+	228.07809142	148.1
[M]-	228.07918858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe