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]+ 145.06593 148.6
[M+Na]+ 167.04787 151.6
[M-H]- 143.05137 149.7
[M+NH4]+ 162.09247 153.4
[M+K]+ 183.02181 157.8
[M+H-H2O]+ 127.05591 134.4
[M+HCOO]- 189.05685 159.1
[M+CH3COO]- 203.07250 203.3
[M+Na-2H]- 165.03332 152.7
[M]+ 144.05810 171.0
[M]- 144.05920 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.