CID 47885

Benz(a)anthracen-2-ol, 7,12-dimethyl-

Structural Information

Molecular Formula

C₂₀H₁₆O

SMILES

CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=C(C=C3)O

InChI

InChI=1S/C20H16O/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)10-8-14-7-9-15(21)11-19(14)20/h3-11,21H,1-2H3

InChIKey

SOUMNXRWBUATRC-UHFFFAOYSA-N

Compound name

7,12-dimethylbenzo[a]anthracen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 272.12012 Da
Monoisotopic Mass: 5.4
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]+	273.127396	161.7
[M+Na]+	295.109338	173.4
[M-H]-	271.112844	167.8
[M+NH4]+	290.153943	181.1
[M+K]+	311.083278	166.4
[M+H-H2O]+	255.117380	154.2
[M+HCOO]-	317.118321	181.7
[M+CH3COO]-	331.133971	174.5
[M+Na-2H]-	293.094786	170.0
[M]+	272.11957142	164.3
[M]-	272.12066858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.