CID 80524

3-hydroxyanthracene-2-carboxylic acid

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C2C=C3C=C(C(=CC3=CC2=C1)C(=O)O)O
InChI
InChI=1S/C15H10O3/c16-14-8-12-6-10-4-2-1-3-9(10)5-11(12)7-13(14)15(17)18/h1-8,16H,(H,17,18)
InChIKey
PHQKCVOZVPSTAF-UHFFFAOYSA-N
Compound name
3-hydroxyanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

182
Patents

238.06299 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 148.3
[M+Na]+ 261.05221 158.5
[M-H]- 237.05571 152.1
[M+NH4]+ 256.09681 166.9
[M+K]+ 277.02615 153.6
[M+H-H2O]+ 221.06025 142.2
[M+HCOO]- 283.06119 168.6
[M+CH3COO]- 297.07684 161.2
[M+Na-2H]- 259.03766 156.5
[M]+ 238.06244 149.7
[M]- 238.06354 149.7
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