CID 67570

6,8-dimethylbenz[a]anthracene

Structural Information

Molecular Formula

C₂₀H₁₆

SMILES

CC1=C2C=C3C(=CC4=CC=CC=C4C3=CC2=CC=C1)C

InChI

InChI=1S/C20H16/c1-13-6-5-8-16-11-20-17-9-4-3-7-15(17)10-14(2)19(20)12-18(13)16/h3-12H,1-2H3

InChIKey

OVSHSQPYUKVYOB-UHFFFAOYSA-N

Compound name

6,8-dimethylbenzo[a]anthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.1252 Da
Monoisotopic Mass: 6.1
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]+	257.13248	157.9
[M+Na]+	279.11442	178.2
[M+NH4]+	274.15902	170.5
[M+K]+	295.08836	166.2
[M-H]-	255.11792	165.2
[M+Na-2H]-	277.09987	168.3
[M]+	256.12465	163.5
[M]-	256.12575	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.