CID 899909

38399-46-1

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C=O)O)C(=O)O
InChI
InChI=1S/C12H8O4/c13-6-10-8-4-2-1-3-7(8)5-9(11(10)14)12(15)16/h1-6,14H,(H,15,16)
InChIKey
LPRBZICETYEWOZ-UHFFFAOYSA-N
Compound name
4-formyl-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

216.04225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04953 143.4
[M+Na]+ 239.03147 156.7
[M+NH4]+ 234.07607 150.8
[M+K]+ 255.00541 151.3
[M-H]- 215.03497 144.3
[M+Na-2H]- 237.01692 148.7
[M]+ 216.04170 145.4
[M]- 216.04280 145.4
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