CID 316765

1,2-aceanthrylenedione

Structural Information

Molecular Formula
C16H8O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
InChI
InChI=1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
InChIKey
YAIBDWAANBTYIA-UHFFFAOYSA-N
Compound name
aceanthrylene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

203
Patents

232.05243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.059706 146.9
[M+Na]+ 255.041648 159.3
[M-H]- 231.045154 154.0
[M+NH4]+ 250.086253 170.5
[M+K]+ 271.015588 153.6
[M+H-H2O]+ 215.049690 140.9
[M+HCOO]- 277.050631 170.0
[M+CH3COO]- 291.066281 161.6
[M+Na-2H]- 253.027096 155.3
[M]+ 232.05188142 151.1
[M]- 232.05297858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe