CID 11550561

14176-43-3

Structural Information

Molecular Formula

C₁₇H₁₄O₂

SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14O2/c1-11-8-9-15-14(10-11)12(2)17(19-15)16(18)13-6-4-3-5-7-13/h3-10H,1-2H3

InChIKey

HJXGOOPWUUVBAP-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-1-benzofuran-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 250.09938 Da
Monoisotopic Mass: 4.7
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]+	251.10666	155.2
[M+Na]+	273.08860	165.8
[M-H]-	249.09210	164.7
[M+NH4]+	268.13320	174.3
[M+K]+	289.06254	162.5
[M+H-H2O]+	233.09664	148.8
[M+HCOO]-	295.09758	179.4
[M+CH3COO]-	309.11323	169.6
[M+Na-2H]-	271.07405	160.4
[M]+	250.09883	159.7
[M]-	250.09993	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe