CID 17253

1,2-benzanthraquinone

Structural Information

Molecular Formula
C18H10O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
InChIKey
LHMRXAIRPKSGDE-UHFFFAOYSA-N
Compound name
benzo[a]anthracene-7,12-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

12212
Patents

258.06808 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07536 153.9
[M+Na]+ 281.05730 164.5
[M-H]- 257.06080 160.7
[M+NH4]+ 276.10190 173.9
[M+K]+ 297.03124 158.4
[M+H-H2O]+ 241.06534 146.2
[M+HCOO]- 303.06628 173.9
[M+CH3COO]- 317.08193 166.9
[M+Na-2H]- 279.04275 162.7
[M]+ 258.06753 154.4
[M]- 258.06863 154.4
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.