CID 80697265

1-(2-fluoroethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1CC1(CCF)C(=O)O
InChI
InChI=1S/C6H9FO2/c7-4-3-6(1-2-6)5(8)9/h1-4H2,(H,8,9)
InChIKey
SPIRZTILNURCMJ-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.05865 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 124.0
[M+Na]+ 155.04787 133.4
[M-H]- 131.05137 126.4
[M+NH4]+ 150.09247 142.2
[M+K]+ 171.02181 132.1
[M+H-H2O]+ 115.05591 119.0
[M+HCOO]- 177.05685 145.0
[M+CH3COO]- 191.07250 172.9
[M+Na-2H]- 153.03332 130.6
[M]+ 132.05810 125.4
[M]- 132.05920 125.4
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.