CID 85638

16909-78-7

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

InChI=1S/C15H14O4/c16-8-9-19-12-6-7-13(14(17)10-12)15(18)11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2

InChIKey

SCMSRHIBVBIECI-UHFFFAOYSA-N

Compound name

[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1950
Patents: 258.0892 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]+	259.096476	156.6
[M+Na]+	281.078418	163.5
[M-H]-	257.081924	160.8
[M+NH4]+	276.123023	171.8
[M+K]+	297.052358	159.9
[M+H-H2O]+	241.086460	149.4
[M+HCOO]-	303.087401	177.7
[M+CH3COO]-	317.103051	190.6
[M+Na-2H]-	279.063866	160.6
[M]+	258.08865142	157.5
[M]-	258.08974858	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe