CID 82076108

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

Structural Information

Molecular Formula
C10H9FO3
SMILES
C1COC2=C(C1C(=O)O)C=CC=C2F
InChI
InChI=1S/C10H9FO3/c11-8-3-1-2-6-7(10(12)13)4-5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKey
NGVSTYVIMDWOMA-UHFFFAOYSA-N
Compound name
8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05357 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06085 136.8
[M+Na]+ 219.04279 144.7
[M-H]- 195.04629 139.4
[M+NH4]+ 214.08739 155.3
[M+K]+ 235.01673 143.3
[M+H-H2O]+ 179.05083 130.4
[M+HCOO]- 241.05177 154.5
[M+CH3COO]- 255.06742 181.0
[M+Na-2H]- 217.02824 143.1
[M]+ 196.05302 134.5
[M]- 196.05412 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.