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]+ 143.05029 123.0
[M+Na]+ 165.03223 132.0
[M-H]- 141.03573 123.9
[M+NH4]+ 160.07683 137.8
[M+K]+ 181.00617 133.1
[M+H-H2O]+ 125.04027 109.2
[M+HCOO]- 187.04121 137.3
[M+CH3COO]- 201.05686 183.6
[M+Na-2H]- 163.01768 127.4
[M]+ 142.04246 123.5
[M]- 142.04356 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.