CID 146189

7,12-dimethylbenz(a)anthracene-5,6-diol

Structural Information

Molecular Formula

C₂₀H₁₆O₂

SMILES

CC1=C2C3=CC=CC=C3C(=C(C2=C(C4=CC=CC=C14)C)O)O

InChI

InChI=1S/C20H16O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,21-22H,1-2H3

InChIKey

HJPAZBVZYGHHPT-UHFFFAOYSA-N

Compound name

7,12-dimethylbenzo[a]anthracene-5,6-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 288.11502 Da
Monoisotopic Mass: 5.7
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]+	289.122296	165.5
[M+Na]+	311.104238	177.5
[M-H]-	287.107744	170.7
[M+NH4]+	306.148843	183.8
[M+K]+	327.078178	170.6
[M+H-H2O]+	271.112280	158.3
[M+HCOO]-	333.113221	184.1
[M+CH3COO]-	347.128871	177.8
[M+Na-2H]-	309.089686	172.8
[M]+	288.11447142	168.2
[M]-	288.11556858	168.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.