CID 15382843

6-fluorochromane-2-carboxylic acid

Structural Information

Molecular Formula
C10H9FO3
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(=O)O
InChI
InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
InChIKey
ZNJANLXCXMVFFI-UHFFFAOYSA-N
Compound name
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

324
Patents

196.05357 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe