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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.132476 157.8
[M+Na]+ 279.114418 169.1
[M-H]- 255.117924 164.9
[M+NH4]+ 274.159023 178.3
[M+K]+ 295.088358 162.2
[M+H-H2O]+ 239.122460 149.9
[M+HCOO]- 301.123401 179.1
[M+CH3COO]- 315.139051 171.1
[M+Na-2H]- 277.099866 167.2
[M]+ 256.12465142 160.2
[M]- 256.12574858 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.