CID 155820817

2356855-45-1

Structural Information

Molecular Formula
C5H6F2O3
SMILES
C1C(C1(F)F)(CO)C(=O)O
InChI
InChI=1S/C5H6F2O3/c6-5(7)1-4(5,2-8)3(9)10/h8H,1-2H2,(H,9,10)
InChIKey
IYWCUAVZFFBHDZ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0285 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03578 134.4
[M+Na]+ 175.01772 143.0
[M+NH4]+ 170.06232 142.9
[M+K]+ 190.99166 138.3
[M-H]- 151.02122 137.4
[M+Na-2H]- 173.00317 141.3
[M]+ 152.02795 137.4
[M]- 152.02905 137.4
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.