CID 4096046

6-fluoro-4-oxo-4h-chromene-2-carboxylic acid

Structural Information

Molecular Formula
C10H5FO4
SMILES
C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O
InChI
InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)
InChIKey
JZJYDFADRMBXAW-UHFFFAOYSA-N
Compound name
6-fluoro-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

165
Patents

208.01718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02446 135.5
[M+Na]+ 231.00640 146.5
[M-H]- 207.00990 139.3
[M+NH4]+ 226.05100 153.8
[M+K]+ 246.98034 144.9
[M+H-H2O]+ 191.01444 129.1
[M+HCOO]- 253.01538 156.4
[M+CH3COO]- 267.03103 183.1
[M+Na-2H]- 228.99185 143.1
[M]+ 208.01663 137.2
[M]- 208.01773 137.2
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