CID 81036221

2-(4,6-difluoro-1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C10H6F2O3
SMILES
C1=C(C=C(C2=C1OC=C2CC(=O)O)F)F
InChI
InChI=1S/C10H6F2O3/c11-6-2-7(12)10-5(1-9(13)14)4-15-8(10)3-6/h2-4H,1H2,(H,13,14)
InChIKey
HTVJZZLRYRMVFK-UHFFFAOYSA-N
Compound name
2-(4,6-difluoro-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03578 143.0
[M+Na]+ 235.01772 154.5
[M+NH4]+ 230.06232 149.6
[M+K]+ 250.99166 151.2
[M-H]- 211.02122 142.4
[M+Na-2H]- 233.00317 146.4
[M]+ 212.02795 144.2
[M]- 212.02905 144.2
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

No patent data available for this compound.