CID 58438987

1-(fluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1CC(C1)(CF)C(=O)O
InChI
InChI=1S/C6H9FO2/c7-4-6(5(8)9)2-1-3-6/h1-4H2,(H,8,9)
InChIKey
AGPYMWSEOIOIPD-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

132.05865 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 125.5
[M+Na]+ 155.04787 131.5
[M-H]- 131.05137 126.7
[M+NH4]+ 150.09247 142.0
[M+K]+ 171.02181 133.7
[M+H-H2O]+ 115.05591 116.3
[M+HCOO]- 177.05685 144.7
[M+CH3COO]- 191.07250 172.4
[M+Na-2H]- 153.03332 131.0
[M]+ 132.05810 131.3
[M]- 132.05920 131.3
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

patents stripe