CID 168023358

3-[1-(difluoromethyl)cyclopropyl]propanoic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CC1(CCC(=O)O)C(F)F
InChI
InChI=1S/C7H10F2O2/c8-6(9)7(3-4-7)2-1-5(10)11/h6H,1-4H2,(H,10,11)
InChIKey
MHZJKTWGRKNNFO-UHFFFAOYSA-N
Compound name
3-[1-(difluoromethyl)cyclopropyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 128.8
[M+Na]+ 187.054098 137.5
[M-H]- 163.057604 129.7
[M+NH4]+ 182.098703 145.6
[M+K]+ 203.028038 136.0
[M+H-H2O]+ 147.062140 122.8
[M+HCOO]- 209.063081 147.5
[M+CH3COO]- 223.078731 179.2
[M+Na-2H]- 185.039546 133.3
[M]+ 164.06433142 128.9
[M]- 164.06542858 128.9
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

patents stripe