CID 452587

4,9-dihydroxyperylene-3,10-dione

Structural Information

Molecular Formula
C20H10O4
SMILES
C1=CC(=C2C(=O)C=CC3=C2C1=C4C=CC(=O)C5=C(C=CC3=C45)O)O
InChI
InChI=1S/C20H10O4/c21-13-5-1-9-10-2-6-15(23)20-16(24)8-4-12(18(10)20)11-3-7-14(22)19(13)17(9)11/h1-8,21,24H
InChIKey
MLYRZJKYWQZCGH-UHFFFAOYSA-N
Compound name
4,10-dihydroxyperylene-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

314.05792 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06520 168.6
[M+Na]+ 337.04714 182.0
[M-H]- 313.05064 174.0
[M+NH4]+ 332.09174 186.8
[M+K]+ 353.02108 175.7
[M+H-H2O]+ 297.05518 160.4
[M+HCOO]- 359.05612 187.1
[M+CH3COO]- 373.07177 181.1
[M+Na-2H]- 335.03259 178.9
[M]+ 314.05737 175.4
[M]- 314.05847 175.4
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