CID 11543208

14178-66-6

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H12O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

OHOPMPQDBXDVID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 236.08372 Da
Monoisotopic Mass: 4.4
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]+	237.09100	150.7
[M+Na]+	259.07294	160.8
[M-H]-	235.07644	160.0
[M+NH4]+	254.11754	170.1
[M+K]+	275.04688	157.8
[M+H-H2O]+	219.08098	144.3
[M+HCOO]-	281.08192	175.2
[M+CH3COO]-	295.09757	165.1
[M+Na-2H]-	257.05839	157.2
[M]+	236.08317	154.4
[M]-	236.08427	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe