CID 26881

14770-96-8

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O3/c1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

InChIKey

RIFCEURUCJPMOQ-UHFFFAOYSA-N

Compound name

(2-hydroxy-5-methoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 228.07864 Da
Monoisotopic Mass: 3.3
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	148.4
[M+Na]+	251.067858	156.3
[M-H]-	227.071364	154.3
[M+NH4]+	246.112463	165.7
[M+K]+	267.041798	153.2
[M+H-H2O]+	211.075900	141.5
[M+HCOO]-	273.076841	171.2
[M+CH3COO]-	287.092491	187.9
[M+Na-2H]-	249.053306	153.5
[M]+	228.07809142	149.4
[M]-	228.07918858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe