CID 656873

1,2-dihydroxy-8-carboxynaphthalene

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC2=C(C(=C1)C(=O)O)C(=C(C=C2)O)O
InChI
InChI=1S/C11H8O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,12-13H,(H,14,15)
InChIKey
UACHLBCIWAPMNM-UHFFFAOYSA-N
Compound name
7,8-dihydroxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
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