CID 80693972

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

Structural Information

Molecular Formula
C7H11FO2
SMILES
C1CC(C1)(CCF)C(=O)O
InChI
InChI=1S/C7H11FO2/c8-5-4-7(6(9)10)2-1-3-7/h1-5H2,(H,9,10)
InChIKey
DTIKMWLDJUHXGQ-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 130.2
[M+Na]+ 169.06353 135.7
[M-H]- 145.06703 131.2
[M+NH4]+ 164.10813 146.1
[M+K]+ 185.03747 137.7
[M+H-H2O]+ 129.07157 120.8
[M+HCOO]- 191.07251 149.1
[M+CH3COO]- 205.08816 175.3
[M+Na-2H]- 167.04898 135.1
[M]+ 146.07376 136.3
[M]- 146.07486 136.3
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.