CID 689013

6-methylflavone

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

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

InChI

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

InChIKey

NOQJBXPAMJLUSS-UHFFFAOYSA-N

Compound name

6-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 87
Patents: 236.08372 Da
Monoisotopic Mass: 3.9
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]+	237.090996	149.7
[M+Na]+	259.072938	160.2
[M-H]-	235.076444	158.9
[M+NH4]+	254.117543	167.5
[M+K]+	275.046878	156.8
[M+H-H2O]+	219.080980	142.3
[M+HCOO]-	281.081921	173.0
[M+CH3COO]-	295.097571	163.9
[M+Na-2H]-	257.058386	158.5
[M]+	236.08317142	152.2
[M]-	236.08426858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe