CID 67030

Anthraquinone-2-carboxylic acid

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/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
InChIKey
ASDLSKCKYGVMAI-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

1348
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 149.7
[M+Na]+ 275.03147 159.7
[M-H]- 251.03497 154.5
[M+NH4]+ 270.07607 168.3
[M+K]+ 291.00541 155.5
[M+H-H2O]+ 235.03951 143.4
[M+HCOO]- 297.04045 169.2
[M+CH3COO]- 311.05610 194.1
[M+Na-2H]- 273.01692 156.0
[M]+ 252.04170 150.6
[M]- 252.04280 150.6
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