CID 482557

2-formyl-1-hydroxyanthraquinone

Structural Information

Molecular Formula
C15H8O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C=O)O
InChI
InChI=1S/C15H8O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-7,17H
InChIKey
AWRYPIXTWQTPSZ-UHFFFAOYSA-N
Compound name
1-hydroxy-9,10-dioxoanthracene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

252.04225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04953 149.6
[M+Na]+ 275.03147 160.8
[M-H]- 251.03497 154.8
[M+NH4]+ 270.07607 168.6
[M+K]+ 291.00541 156.2
[M+H-H2O]+ 235.03951 143.4
[M+HCOO]- 297.04045 170.1
[M+CH3COO]- 311.05610 194.5
[M+Na-2H]- 273.01692 156.4
[M]+ 252.04170 151.5
[M]- 252.04280 151.5
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.