CID 68624624

1,8-dihydroxynaphthalene-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

204.04225 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe