CID 5051738

4-ethoxy-2-hydroxybenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C15H14O3/c1-2-18-12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3

InChIKey

JAFUHGPESJSRJX-UHFFFAOYSA-N

Compound name

(4-ethoxy-2-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 561
Patents: 242.0943 Da
Monoisotopic Mass: 4.0
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]+	243.10158	154.1
[M+Na]+	265.08352	168.4
[M+NH4]+	260.12812	162.2
[M+K]+	281.05746	161.4
[M-H]-	241.08702	157.9
[M+Na-2H]-	263.06897	162.8
[M]+	242.09375	157.3
[M]-	242.09485	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe