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

17
Patents

150.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 123.9
[M+Na]+ 173.03846 134.2
[M-H]- 149.04196 125.3
[M+NH4]+ 168.08306 141.6
[M+K]+ 189.01240 132.4
[M+H-H2O]+ 133.04650 118.3
[M+HCOO]- 195.04744 143.9
[M+CH3COO]- 209.06309 176.6
[M+Na-2H]- 171.02391 129.5
[M]+ 150.04869 124.6
[M]- 150.04979 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