CID 67120

Desoxyanisoin

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

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

InChI

InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

InChIKey

SICBLYCPRWNHHP-UHFFFAOYSA-N

Compound name

1,2-bis(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 491
Patents: 256.10995 Da
Monoisotopic Mass: 3.1
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]+	257.117226	157.4
[M+Na]+	279.099168	164.8
[M-H]-	255.102674	164.2
[M+NH4]+	274.143773	174.2
[M+K]+	295.073108	162.1
[M+H-H2O]+	239.107210	149.7
[M+HCOO]-	301.108151	180.9
[M+CH3COO]-	315.123801	196.4
[M+Na-2H]-	277.084616	161.7
[M]+	256.10940142	160.9
[M]-	256.11049858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe