CID 53421193

6-fluoro-3,4-dihydro-1h-2-benzopyran-1-carboxylic acid

Structural Information

Molecular Formula
C10H9FO3
SMILES
C1COC(C2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H9FO3/c11-7-1-2-8-6(5-7)3-4-14-9(8)10(12)13/h1-2,5,9H,3-4H2,(H,12,13)
InChIKey
FQJXNRIMUPWIPF-UHFFFAOYSA-N
Compound name
6-fluoro-3,4-dihydro-1H-isochromene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05357 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.060846 136.8
[M+Na]+ 219.042788 144.7
[M-H]- 195.046294 139.4
[M+NH4]+ 214.087393 155.3
[M+K]+ 235.016728 143.3
[M+H-H2O]+ 179.050830 130.4
[M+HCOO]- 241.051771 154.5
[M+CH3COO]- 255.067421 181.0
[M+Na-2H]- 217.028236 143.1
[M]+ 196.05302142 134.5
[M]- 196.05411858 134.5
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.