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]+ 145.065926 129.6
[M+Na]+ 167.047868 135.3
[M-H]- 143.051374 130.0
[M+NH4]+ 162.092473 151.6
[M+K]+ 183.021808 134.0
[M+H-H2O]+ 127.055910 124.0
[M+HCOO]- 189.056851 148.8
[M+CH3COO]- 203.072501 169.4
[M+Na-2H]- 165.033316 130.9
[M]+ 144.05810142 123.5
[M]- 144.05919858 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.