CID 66637

3,5-dihydroxy-2-naphthoic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC2=CC(=C(C=C2C(=C1)O)O)C(=O)O
InChI
InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
InChIKey
YELLAPKUWRTITI-UHFFFAOYSA-N
Compound name
3,5-dihydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1231
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

literature stripe

Patent stripe

patents stripe