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]+ 145.065926 149.6
[M+Na]+ 167.047868 153.8
[M-H]- 143.051374 151.2
[M+NH4]+ 162.092473 156.2
[M+K]+ 183.021808 159.1
[M+H-H2O]+ 127.055910 137.0
[M+HCOO]- 189.056851 160.9
[M+CH3COO]- 203.072501 202.5
[M+Na-2H]- 165.033316 155.4
[M]+ 144.05810142 172.9
[M]- 144.05919858 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.