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 132.1
[M+Na]+ 221.00207 144.4
[M-H]- 197.00557 135.0
[M+NH4]+ 216.04667 152.9
[M+K]+ 236.97601 142.3
[M+H-H2O]+ 181.01011 126.0
[M+HCOO]- 243.01105 154.1
[M+CH3COO]- 257.02670 180.9
[M+Na-2H]- 218.98752 138.1
[M]+ 198.01230 133.8
[M]- 198.01340 133.8
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.