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

literature stripe

Patent stripe

patents stripe