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]+ 133.065926 124.0
[M+Na]+ 155.047868 133.4
[M-H]- 131.051374 126.4
[M+NH4]+ 150.092473 142.2
[M+K]+ 171.021808 132.1
[M+H-H2O]+ 115.055910 119.0
[M+HCOO]- 177.056851 145.0
[M+CH3COO]- 191.072501 172.9
[M+Na-2H]- 153.033316 130.6
[M]+ 132.05810142 125.4
[M]- 132.05919858 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.