CID 9816055

160592-73-4

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

389
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 145.1
[M+Na]+ 255.02639 153.6
[M-H]- 231.02989 146.4
[M+NH4]+ 250.07099 162.0
[M+K]+ 271.00033 150.6
[M+H-H2O]+ 215.03443 139.8
[M+HCOO]- 277.03537 163.4
[M+CH3COO]- 291.05102 184.7
[M+Na-2H]- 253.01184 149.3
[M]+ 232.03662 145.1
[M]- 232.03772 145.1
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