CID 362096

Benz(a)anthracene-1,4-dione, 7,12-dimethyl-

Structural Information

Molecular Formula
C20H14O2
SMILES
CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C(=O)C=CC3=O
InChI
InChI=1S/C20H14O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-16-17(21)9-10-18(22)20(16)19/h3-10H,1-2H3
InChIKey
KMZNJHZZPXJOPL-UHFFFAOYSA-N
Compound name
7,12-dimethylbenzo[a]anthracene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09937 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10665 163.3
[M+Na]+ 309.08859 175.6
[M-H]- 285.09209 170.8
[M+NH4]+ 304.13319 182.8
[M+K]+ 325.06253 169.3
[M+H-H2O]+ 269.09663 155.4
[M+HCOO]- 331.09757 183.8
[M+CH3COO]- 345.11322 176.6
[M+Na-2H]- 307.07404 170.5
[M]+ 286.09882 166.6
[M]- 286.09992 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.