CID 13270875

Dtxsid30533578

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC1=CC=CC(=C1OC)C(=O)C2=CC=CC=C2

InChI

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

InChIKey

WWMFRKPUQJRNBY-UHFFFAOYSA-N

Compound name

(2,3-dimethoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3525
Patents: 242.0943 Da
Monoisotopic Mass: 3.3
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]+	243.10158	152.6
[M+Na]+	265.08352	160.5
[M-H]-	241.08702	159.7
[M+NH4]+	260.12812	170.0
[M+K]+	281.05746	158.1
[M+H-H2O]+	225.09156	145.2
[M+HCOO]-	287.09250	176.6
[M+CH3COO]-	301.10815	193.4
[M+Na-2H]-	263.06897	157.6
[M]+	242.09375	155.8
[M]-	242.09485	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe