CID 2774215

3,3-difluoro-2-oxo-3-phenylpropanoic acid

Structural Information

Molecular Formula
C9H6F2O3
SMILES
C1=CC=C(C=C1)C(C(=O)C(=O)O)(F)F
InChI
InChI=1S/C9H6F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey
BCWAMQRCRFANMW-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-oxo-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03578 141.8
[M+Na]+ 223.01772 150.6
[M+NH4]+ 218.06232 147.0
[M+K]+ 238.99166 147.2
[M-H]- 199.02122 138.4
[M+Na-2H]- 221.00317 145.7
[M]+ 200.02795 141.6
[M]- 200.02905 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.