CID 165598186

3-formyl-1,4-dihydroxynaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C12H8O5
SMILES
C1=CC=C2C(=C1)C(=C(C(=C2O)C(=O)O)C=O)O
InChI
InChI=1S/C12H8O5/c13-5-8-9(12(16)17)11(15)7-4-2-1-3-6(7)10(8)14/h1-5,14-15H,(H,16,17)
InChIKey
QSRFIMAGGCQPDB-UHFFFAOYSA-N
Compound name
3-formyl-1,4-dihydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 144.8
[M+Na]+ 255.02639 154.6
[M-H]- 231.02989 146.5
[M+NH4]+ 250.07099 162.2
[M+K]+ 271.00033 151.1
[M+H-H2O]+ 215.03443 139.6
[M+HCOO]- 277.03537 164.1
[M+CH3COO]- 291.05102 185.1
[M+Na-2H]- 253.01184 149.6
[M]+ 232.03662 145.9
[M]- 232.03772 145.9
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

No patent data available for this compound.