CID 146049148

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

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C[C@@]1(C[C@H]1C(=O)O)C(F)F
InChI
InChI=1S/C6H8F2O2/c1-6(5(7)8)2-3(6)4(9)10/h3,5H,2H2,1H3,(H,9,10)/t3-,6-/m0/s1
InChIKey
MNXQTVZTEQQCRH-DZSWIPIPSA-N
Compound name
(1R,2S)-2-(difluoromethyl)-2-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 123.2
[M+Na]+ 173.03846 133.3
[M-H]- 149.04196 124.7
[M+NH4]+ 168.08306 140.9
[M+K]+ 189.01240 131.8
[M+H-H2O]+ 133.04650 117.8
[M+HCOO]- 195.04744 142.2
[M+CH3COO]- 209.06309 177.5
[M+Na-2H]- 171.02391 127.7
[M]+ 150.04869 123.3
[M]- 150.04979 123.3
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.