CID 171034896

2-(bicyclo[1.1.1]pentan-1-yl)-2-fluoroacetic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1C2CC1(C2)C(C(=O)O)F
InChI
InChI=1S/C7H9FO2/c8-5(6(9)10)7-1-4(2-7)3-7/h4-5H,1-3H2,(H,9,10)
InChIKey
YOAADZHBPZWOAH-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[1.1.1]pentanyl)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.065926 148.6
[M+Na]+ 167.047868 151.6
[M-H]- 143.051374 149.7
[M+NH4]+ 162.092473 153.4
[M+K]+ 183.021808 157.8
[M+H-H2O]+ 127.055910 134.4
[M+HCOO]- 189.056851 159.1
[M+CH3COO]- 203.072501 203.3
[M+Na-2H]- 165.033316 152.7
[M]+ 144.05810142 171.0
[M]- 144.05919858 171.0
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.