CID 84716126

2728726-83-6

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1C(CC1C(=O)O)CF
InChI
InChI=1S/C6H9FO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKey
CXSJFWUBXJRTNT-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 123.6
[M+Na]+ 155.047868 129.6
[M-H]- 131.051374 124.7
[M+NH4]+ 150.092473 138.4
[M+K]+ 171.021808 131.8
[M+H-H2O]+ 115.055910 113.3
[M+HCOO]- 177.056851 142.8
[M+CH3COO]- 191.072501 173.9
[M+Na-2H]- 153.033316 127.4
[M]+ 132.05810142 129.5
[M]- 132.05919858 129.5
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