CID 167728336

Rac-(1r,2r)-2-(difluoromethyl)-1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C[C@@]1(C[C@@H]1C(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O2/c1-6(5(9)10)2-3(6)4(7)8/h3-4H,2H2,1H3,(H,9,10)/t3-,6+/m1/s1
InChIKey
BAMOBKOZAOHLKA-CVYQJGLWSA-N
Compound name
(1S,2S)-2-(difluoromethyl)-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 134.9
[M+Na]+ 173.03846 143.7
[M+NH4]+ 168.08306 142.6
[M+K]+ 189.01240 140.2
[M-H]- 149.04196 138.3
[M+Na-2H]- 171.02391 140.6
[M]+ 150.04869 137.9
[M]- 150.04979 137.9
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.