CID 124286346

3-(fluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1C2(CC1(C2)C(=O)O)CF
InChI
InChI=1S/C7H9FO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-4H2,(H,9,10)
InChIKey
YFKSDNWMDURBOX-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.05865 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06593 149.6
[M+Na]+ 167.04787 153.8
[M-H]- 143.05137 151.2
[M+NH4]+ 162.09247 156.2
[M+K]+ 183.02181 159.1
[M+H-H2O]+ 127.05591 137.0
[M+HCOO]- 189.05685 160.9
[M+CH3COO]- 203.07250 202.5
[M+Na-2H]- 165.03332 155.4
[M]+ 144.05810 172.9
[M]- 144.05920 172.9
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.