CID 9816055

3-hydroxynaphthalene-2,7-dicarboxylic acid

Structural Information

Molecular Formula
C12H8O5
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8O5/c13-10-5-6-1-2-7(11(14)15)3-8(6)4-9(10)12(16)17/h1-5,13H,(H,14,15)(H,16,17)
InChIKey
TVBXXOVRWRDFMB-UHFFFAOYSA-N
Compound name
3-hydroxynaphthalene-2,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

232.03717 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 146.7
[M+Na]+ 255.02639 158.6
[M+NH4]+ 250.07099 153.1
[M+K]+ 271.00033 154.9
[M-H]- 231.02989 146.4
[M+Na-2H]- 253.01184 150.6
[M]+ 232.03662 148.0
[M]- 232.03772 148.0
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

patents stripe