CID 688628

2,4-dimethoxy-4'-hydroxybenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

InChI=1S/C15H14O4/c1-18-12-7-8-13(14(9-12)19-2)15(17)10-3-5-11(16)6-4-10/h3-9,16H,1-2H3

InChIKey

QEHRETCJMLQPCR-UHFFFAOYSA-N

Compound name

(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 343
Patents: 258.0892 Da
Monoisotopic Mass: 2.9
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	155.7
[M+Na]+	281.078418	163.9
[M-H]-	257.081924	161.7
[M+NH4]+	276.123023	171.9
[M+K]+	297.052358	161.3
[M+H-H2O]+	241.086460	148.4
[M+HCOO]-	303.087401	178.3
[M+CH3COO]-	317.103051	194.3
[M+Na-2H]-	279.063866	159.5
[M]+	258.08865142	158.9
[M]-	258.08974858	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe