CID 165992976

3-(2,2-difluoro-1-methylcyclopropyl)propanoic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC1(CC1(F)F)CCC(=O)O
InChI
InChI=1S/C7H10F2O2/c1-6(3-2-5(10)11)4-7(6,8)9/h2-4H2,1H3,(H,10,11)
InChIKey
QGFVZJXPYCKDTD-UHFFFAOYSA-N
Compound name
3-(2,2-difluoro-1-methylcyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 128.0
[M+Na]+ 187.05410 138.5
[M-H]- 163.05760 129.6
[M+NH4]+ 182.09870 147.0
[M+K]+ 203.02804 137.4
[M+H-H2O]+ 147.06214 123.6
[M+HCOO]- 209.06308 147.2
[M+CH3COO]- 223.07873 179.3
[M+Na-2H]- 185.03955 134.2
[M]+ 164.06433 129.6
[M]- 164.06543 129.6
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

No patent data available for this compound.