CID 1306582

14756-26-4

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H14O2/c1-13-6-8-15(9-7-13)19-12-18(21)17-11-10-14-4-2-3-5-16(14)20(17)22-19/h2-12H,1H3

InChIKey

AVCQGCNOJZYRJO-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)benzo[h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5
Patents: 286.09937 Da
Monoisotopic Mass: 4.8
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]+	287.10665	164.3
[M+Na]+	309.08859	176.0
[M-H]-	285.09209	174.5
[M+NH4]+	304.13319	180.9
[M+K]+	325.06253	171.1
[M+H-H2O]+	269.09663	155.5
[M+HCOO]-	331.09757	186.9
[M+CH3COO]-	345.11322	177.8
[M+Na-2H]-	307.07404	173.7
[M]+	286.09882	168.3
[M]-	286.09992	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe