CID 83396983

7-fluoro-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7FO3
SMILES
C1C(=CC2=C(O1)C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H7FO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-4H,5H2,(H,12,13)
InChIKey
MFOXKLIIWABFMG-UHFFFAOYSA-N
Compound name
7-fluoro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.03792 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.045196 135.2
[M+Na]+ 217.027138 144.2
[M-H]- 193.030644 138.3
[M+NH4]+ 212.071743 153.9
[M+K]+ 233.001078 142.6
[M+H-H2O]+ 177.035180 128.9
[M+HCOO]- 239.036121 154.4
[M+CH3COO]- 253.051771 180.7
[M+Na-2H]- 215.012586 142.5
[M]+ 194.03737142 134.4
[M]- 194.03846858 134.4
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