CID 390997

5,6-dihydroxynaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)O
InChI
InChI=1S/C11H8O4/c12-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)13/h1-5,12-13H,(H,14,15)
InChIKey
ICGAFQWZWKIUMN-UHFFFAOYSA-N
Compound name
5,6-dihydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

204.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.049526 139.0
[M+Na]+ 227.031468 148.3
[M-H]- 203.034974 140.5
[M+NH4]+ 222.076073 157.4
[M+K]+ 243.005408 144.8
[M+H-H2O]+ 187.039510 134.0
[M+HCOO]- 249.040451 158.3
[M+CH3COO]- 263.056101 179.2
[M+Na-2H]- 225.016916 144.9
[M]+ 204.04170142 138.6
[M]- 204.04279858 138.6
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