CID 14567874

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

No literature data available for this compound.

Patent stripe

patents stripe