CID 84051795

6,7-difluoro-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H4F2O3
SMILES
C1=CC(=C(C2=C1C=C(O2)C(=O)O)F)F
InChI
InChI=1S/C9H4F2O3/c10-5-2-1-4-3-6(9(12)13)14-8(4)7(5)11/h1-3H,(H,12,13)
InChIKey
XRLRTKXVZAXYTR-UHFFFAOYSA-N
Compound name
6,7-difluoro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.01285 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02013 138.5
[M+Na]+ 221.00207 150.2
[M+NH4]+ 216.04667 145.2
[M+K]+ 236.97601 147.1
[M-H]- 197.00557 138.0
[M+Na-2H]- 218.98752 142.2
[M]+ 198.01230 139.8
[M]- 198.01340 139.8
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.