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

7
Patents

132.05865 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 125.5
[M+Na]+ 155.047868 131.5
[M-H]- 131.051374 126.7
[M+NH4]+ 150.092473 142.0
[M+K]+ 171.021808 133.7
[M+H-H2O]+ 115.055910 116.3
[M+HCOO]- 177.056851 144.7
[M+CH3COO]- 191.072501 172.4
[M+Na-2H]- 153.033316 131.0
[M]+ 132.05810142 131.3
[M]- 132.05919858 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