CID 232895

145958-83-4

Structural Information

Molecular Formula
C19H12O2
SMILES
CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C4=CC=CC=C4C=C3
InChI
InChI=1S/C19H12O2/c1-11-6-8-14-16(10-11)19(21)17-13-5-3-2-4-12(13)7-9-15(17)18(14)20/h2-10H,1H3
InChIKey
TUSKHYKFILIKSO-UHFFFAOYSA-N
Compound name
10-methylbenzo[a]anthracene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08374 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09102 158.8
[M+Na]+ 295.07296 169.8
[M-H]- 271.07646 165.8
[M+NH4]+ 290.11756 178.5
[M+K]+ 311.04690 163.6
[M+H-H2O]+ 255.08100 151.1
[M+HCOO]- 317.08194 178.4
[M+CH3COO]- 331.09759 171.7
[M+Na-2H]- 293.05841 166.3
[M]+ 272.08319 160.0
[M]- 272.08429 160.0
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.