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]+ 145.065926 125.2
[M+Na]+ 167.047868 134.0
[M-H]- 143.051374 130.0
[M+NH4]+ 162.092473 137.5
[M+K]+ 183.021808 135.0
[M+H-H2O]+ 127.055910 116.1
[M+HCOO]- 189.056851 144.1
[M+CH3COO]- 203.072501 178.8
[M+Na-2H]- 165.033316 130.9
[M]+ 144.05810142 133.6
[M]- 144.05919858 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.