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]+ 233.044446 144.8
[M+Na]+ 255.026388 154.6
[M-H]- 231.029894 146.5
[M+NH4]+ 250.070993 162.2
[M+K]+ 271.000328 151.1
[M+H-H2O]+ 215.034430 139.6
[M+HCOO]- 277.035371 164.1
[M+CH3COO]- 291.051021 185.1
[M+Na-2H]- 253.011836 149.6
[M]+ 232.03662142 145.9
[M]- 232.03771858 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.