CID 68624624

856074-98-1

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

47
Patents

204.04225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 139.0
[M+Na]+ 227.03147 148.3
[M-H]- 203.03497 140.5
[M+NH4]+ 222.07607 157.4
[M+K]+ 243.00541 144.8
[M+H-H2O]+ 187.03951 134.0
[M+HCOO]- 249.04045 158.3
[M+CH3COO]- 263.05610 179.2
[M+Na-2H]- 225.01692 144.9
[M]+ 204.04170 138.6
[M]- 204.04280 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