CID 1473404

269075-46-9

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14O3/c1-11-14-9-8-13(19-2)10-15(14)20-17(11)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3

InChIKey

KWNOCCDHRFAWPC-UHFFFAOYSA-N

Compound name

(6-methoxy-3-methyl-1-benzofuran-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 266.0943 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]+	267.101576	158.6
[M+Na]+	289.083518	169.0
[M-H]-	265.087024	168.1
[M+NH4]+	284.128123	176.9
[M+K]+	305.057458	166.4
[M+H-H2O]+	249.091560	151.9
[M+HCOO]-	311.092501	182.9
[M+CH3COO]-	325.108151	198.0
[M+Na-2H]-	287.068966	163.8
[M]+	266.09375142	164.5
[M]-	266.09484858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe