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

175
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 138.7
[M+Na]+ 223.03657 147.8
[M-H]- 199.04007 142.5
[M+NH4]+ 218.08117 158.4
[M+K]+ 239.01051 144.5
[M+H-H2O]+ 183.04461 133.0
[M+HCOO]- 245.04555 160.7
[M+CH3COO]- 259.06120 182.8
[M+Na-2H]- 221.02202 145.6
[M]+ 200.04680 139.7
[M]- 200.04790 139.7
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

No patent data available for this compound.