CID 254174

4038-15-7

Structural Information

Molecular Formula

C₁₆H₁₆O₄

SMILES

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

InChI

InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3

InChIKey

VFTDVICZBGDMMB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 101
Patents: 272.10486 Da
Monoisotopic Mass: 3.2
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]+	273.112136	159.9
[M+Na]+	295.094078	168.1
[M-H]-	271.097584	167.1
[M+NH4]+	290.138683	176.2
[M+K]+	311.068018	166.1
[M+H-H2O]+	255.102120	152.1
[M+HCOO]-	317.103061	183.6
[M+CH3COO]-	331.118711	199.7
[M+Na-2H]-	293.079526	163.6
[M]+	272.10431142	165.2
[M]-	272.10540858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe