CID 104647

1h-cyclopent(b)anthracene-5,10-dione, 2,3-dihydro-

Structural Information

Molecular Formula
C17H12O2
SMILES
C1CC2=CC3=C(C=C2C1)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C17H12O2/c18-16-12-6-1-2-7-13(12)17(19)15-9-11-5-3-4-10(11)8-14(15)16/h1-2,6-9H,3-5H2
InChIKey
JADNYAGQPYPGAG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-cyclopenta[b]anthracene-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 152.8
[M+Na]+ 271.07294 162.8
[M-H]- 247.07644 159.5
[M+NH4]+ 266.11754 175.2
[M+K]+ 287.04688 157.0
[M+H-H2O]+ 231.08098 146.6
[M+HCOO]- 293.08192 172.7
[M+CH3COO]- 307.09757 166.0
[M+Na-2H]- 269.05839 158.2
[M]+ 248.08317 152.5
[M]- 248.08427 152.5
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.