CID 138040924

2168202-34-2

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1C(CC12CC2F)C(=O)O
InChI
InChI=1S/C7H9FO2/c8-5-3-7(5)1-4(2-7)6(9)10/h4-5H,1-3H2,(H,9,10)
InChIKey
CMBXDRUMOASTBI-UHFFFAOYSA-N
Compound name
2-fluorospiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.05865 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06593 125.2
[M+Na]+ 167.04787 134.0
[M-H]- 143.05137 130.0
[M+NH4]+ 162.09247 137.5
[M+K]+ 183.02181 135.0
[M+H-H2O]+ 127.05591 116.1
[M+HCOO]- 189.05685 144.1
[M+CH3COO]- 203.07250 178.8
[M+Na-2H]- 165.03332 130.9
[M]+ 144.05810 133.6
[M]- 144.05920 133.6
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.