CID 84716127

2-(3-fluorocyclobutyl)acetic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1C(CC1F)CC(=O)O
InChI
InChI=1S/C6H9FO2/c7-5-1-4(2-5)3-6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKey
SNOWFIWGEAGSLB-UHFFFAOYSA-N
Compound name
2-(3-fluorocyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

132.05865 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 123.6
[M+Na]+ 155.04787 129.6
[M-H]- 131.05137 124.7
[M+NH4]+ 150.09247 138.4
[M+K]+ 171.02181 131.8
[M+H-H2O]+ 115.05591 113.3
[M+HCOO]- 177.05685 142.8
[M+CH3COO]- 191.07250 173.9
[M+Na-2H]- 153.03332 127.4
[M]+ 132.05810 129.5
[M]- 132.05920 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