CID 55302746

2-cyclopentylidene-2-fluoroacetic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1CCC(=C(C(=O)O)F)C1
InChI
InChI=1S/C7H9FO2/c8-6(7(9)10)5-3-1-2-4-5/h1-4H2,(H,9,10)
InChIKey
FEJYQWCCMCHIRO-UHFFFAOYSA-N
Compound name
2-cyclopentylidene-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.05865 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06593 129.6
[M+Na]+ 167.04787 135.3
[M-H]- 143.05137 130.0
[M+NH4]+ 162.09247 151.6
[M+K]+ 183.02181 134.0
[M+H-H2O]+ 127.05591 124.0
[M+HCOO]- 189.05685 148.8
[M+CH3COO]- 203.07250 169.4
[M+Na-2H]- 165.03332 130.9
[M]+ 144.05810 123.5
[M]- 144.05920 123.5
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.