CID 62784651

4,6-difluoro-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H4F2O3
SMILES
C1=C(C=C(C2=C1OC(=C2)C(=O)O)F)F
InChI
InChI=1S/C9H4F2O3/c10-4-1-6(11)5-3-8(9(12)13)14-7(5)2-4/h1-3H,(H,12,13)
InChIKey
UGRDLLRKZBMMDY-UHFFFAOYSA-N
Compound name
4,6-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]+ 199.020126 132.1
[M+Na]+ 221.002068 144.4
[M-H]- 197.005574 135.0
[M+NH4]+ 216.046673 152.9
[M+K]+ 236.976008 142.3
[M+H-H2O]+ 181.010110 126.0
[M+HCOO]- 243.011051 154.1
[M+CH3COO]- 257.026701 180.9
[M+Na-2H]- 218.987516 138.1
[M]+ 198.01230142 133.8
[M]- 198.01339858 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.