CID 91647575

3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid

Structural Information

Molecular Formula
C6H6F2O3
SMILES
C1CC1C(=O)C(C(=O)O)(F)F
InChI
InChI=1S/C6H6F2O3/c7-6(8,5(10)11)4(9)3-1-2-3/h3H,1-2H2,(H,10,11)
InChIKey
QOCHWUBCFLGEGX-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.0285 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03578 125.2
[M+Na]+ 187.01772 134.3
[M-H]- 163.02122 126.2
[M+NH4]+ 182.06232 140.1
[M+K]+ 202.99166 132.1
[M+H-H2O]+ 147.02576 118.7
[M+HCOO]- 209.02670 143.5
[M+CH3COO]- 223.04235 178.1
[M+Na-2H]- 185.00317 129.9
[M]+ 164.02795 124.8
[M]- 164.02905 124.8
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.