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]+ 273.091016 158.8
[M+Na]+ 295.072958 169.8
[M-H]- 271.076464 165.8
[M+NH4]+ 290.117563 178.5
[M+K]+ 311.046898 163.6
[M+H-H2O]+ 255.081000 151.1
[M+HCOO]- 317.081941 178.4
[M+CH3COO]- 331.097591 171.7
[M+Na-2H]- 293.058406 166.3
[M]+ 272.08319142 160.0
[M]- 272.08428858 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.