CID 121207611

3-(2,2-difluorocyclopropyl)propanoic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1C(C1(F)F)CCC(=O)O
InChI
InChI=1S/C6H8F2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
MTSCXZQZHWSLSB-UHFFFAOYSA-N
Compound name
3-(2,2-difluorocyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

150.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 123.9
[M+Na]+ 173.038458 134.2
[M-H]- 149.041964 125.3
[M+NH4]+ 168.083063 141.6
[M+K]+ 189.012398 132.4
[M+H-H2O]+ 133.046500 118.3
[M+HCOO]- 195.047441 143.9
[M+CH3COO]- 209.063091 176.6
[M+Na-2H]- 171.023906 129.5
[M]+ 150.04869142 124.6
[M]- 150.04978858 124.6
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