CID 79736966

2-cyclobutylidene-2-fluoroacetic acid

Structural Information

Molecular Formula
C6H7FO2
SMILES
C1CC(=C(C(=O)O)F)C1
InChI
InChI=1S/C6H7FO2/c7-5(6(8)9)4-2-1-3-4/h1-3H2,(H,8,9)
InChIKey
SVHIKMGQQJWKHG-UHFFFAOYSA-N
Compound name
2-cyclobutylidene-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.04301 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05029 124.5
[M+Na]+ 153.03223 129.7
[M-H]- 129.03573 125.4
[M+NH4]+ 148.07683 138.9
[M+K]+ 169.00617 131.7
[M+H-H2O]+ 113.04027 114.0
[M+HCOO]- 175.04121 142.9
[M+CH3COO]- 189.05686 172.1
[M+Na-2H]- 151.01768 127.6
[M]+ 130.04246 128.6
[M]- 130.04356 128.6
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.