CID 79881

5811-87-0

Structural Information

Molecular Formula
C12H8O3
SMILES
C1=CC2=C(C(=C1)C=O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C12H8O3/c13-7-9-5-1-3-8-4-2-6-10(11(8)9)12(14)15/h1-7H,(H,14,15)
InChIKey
HLHDIWAOQIRETC-UHFFFAOYSA-N
Compound name
8-formylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

200.04735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05463 140.0
[M+Na]+ 223.03657 154.0
[M+NH4]+ 218.08117 148.4
[M+K]+ 239.01051 147.5
[M-H]- 199.04007 142.0
[M+Na-2H]- 221.02202 146.7
[M]+ 200.04680 142.5
[M]- 200.04790 142.5
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