CID 165523604

3-ethynyl-3-fluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H7FO2
SMILES
C#CC1(CC(C1)C(=O)O)F
InChI
InChI=1S/C7H7FO2/c1-2-7(8)3-5(4-7)6(9)10/h1,5H,3-4H2,(H,9,10)
InChIKey
KMZBFUNXNXCMAR-UHFFFAOYSA-N
Compound name
3-ethynyl-3-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.04301 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.050286 123.0
[M+Na]+ 165.032228 132.0
[M-H]- 141.035734 123.9
[M+NH4]+ 160.076833 137.8
[M+K]+ 181.006168 133.1
[M+H-H2O]+ 125.040270 109.2
[M+HCOO]- 187.041211 137.3
[M+CH3COO]- 201.056861 183.6
[M+Na-2H]- 163.017676 127.4
[M]+ 142.04246142 123.5
[M]- 142.04355858 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.