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
trans-(1S,2S)-2-(difluoromethyl)-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

150.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 123.2
[M+Na]+ 173.038458 133.3
[M-H]- 149.041964 124.7
[M+NH4]+ 168.083063 140.9
[M+K]+ 189.012398 131.8
[M+H-H2O]+ 133.046500 117.8
[M+HCOO]- 195.047441 142.2
[M+CH3COO]- 209.063091 177.5
[M+Na-2H]- 171.023906 127.7
[M]+ 150.04869142 123.3
[M]- 150.04978858 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

patents stripe