CID 75689

4-allyloxy-2-hydroxybenzophenone

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

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

InChI

InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2

InChIKey

GVZIBGFELWPEOC-UHFFFAOYSA-N

Compound name

(2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 744
Patents: 254.0943 Da
Monoisotopic Mass: 4.3
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]+	255.10158	156.5
[M+Na]+	277.08352	163.8
[M-H]-	253.08702	162.0
[M+NH4]+	272.12812	172.6
[M+K]+	293.05746	159.6
[M+H-H2O]+	237.09156	149.2
[M+HCOO]-	299.09250	178.8
[M+CH3COO]-	313.10815	193.1
[M+Na-2H]-	275.06897	160.4
[M]+	254.09375	157.5
[M]-	254.09485	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe