CID 11096783

134612-39-8

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)OC

InChI

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

InChIKey

QRHQYMIZAGQGDF-UHFFFAOYSA-N

Compound name

(4-hydroxy-3-methoxyphenyl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 242.0943 Da
Monoisotopic Mass: 2.5
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	153.7
[M+Na]+	265.08352	168.4
[M+NH4]+	260.12812	161.9
[M+K]+	281.05746	161.6
[M-H]-	241.08702	157.6
[M+Na-2H]-	263.06897	162.2
[M]+	242.09375	157.0
[M]-	242.09485	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe