CID 154699563

Ns00117323

Structural Information

Molecular Formula

C₁₉H₁₄O

SMILES

CC1=C2C(=C(C3=CC=CC=C13)O)C=CC4=CC=CC=C42

InChI

InChI=1S/C19H14O/c1-12-14-7-4-5-9-16(14)19(20)17-11-10-13-6-2-3-8-15(13)18(12)17/h2-11,20H,1H3

InChIKey

DNSORFIUSTVMNQ-UHFFFAOYSA-N

Compound name

12-methylbenzo[a]anthracen-7-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 258.10446 Da
Monoisotopic Mass: 5.1
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]+	259.111736	156.6
[M+Na]+	281.093678	167.9
[M-H]-	257.097184	162.6
[M+NH4]+	276.138283	176.3
[M+K]+	297.067618	161.0
[M+H-H2O]+	241.101720	149.2
[M+HCOO]-	303.102661	177.0
[M+CH3COO]-	317.118311	169.6
[M+Na-2H]-	279.079126	166.3
[M]+	258.10391142	158.4
[M]-	258.10500858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.