CID 84020776

2-cyclobutyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C7H11FO2
SMILES
CC(C1CCC1)(C(=O)O)F
InChI
InChI=1S/C7H11FO2/c1-7(8,6(9)10)5-3-2-4-5/h5H,2-4H2,1H3,(H,9,10)
InChIKey
CCDAMRFZKSOKQO-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08159 129.0
[M+Na]+ 169.06353 134.1
[M-H]- 145.06703 129.8
[M+NH4]+ 164.10813 143.0
[M+K]+ 185.03747 136.4
[M+H-H2O]+ 129.07157 118.9
[M+HCOO]- 191.07251 146.4
[M+CH3COO]- 205.08816 176.0
[M+Na-2H]- 167.04898 133.5
[M]+ 146.07376 134.4
[M]- 146.07486 134.4
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.