CID 135393274

Methyl 1-fluoro-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C6H7FO3
SMILES
COC(=O)C1(CC(=O)C1)F
InChI
InChI=1S/C6H7FO3/c1-10-5(9)6(7)2-4(8)3-6/h2-3H2,1H3
InChIKey
UZAOZEAYLABQNK-UHFFFAOYSA-N
Compound name
methyl 1-fluoro-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.03792 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04520 124.1
[M+Na]+ 169.02714 131.6
[M-H]- 145.03064 127.1
[M+NH4]+ 164.07174 141.0
[M+K]+ 185.00108 134.7
[M+H-H2O]+ 129.03518 115.1
[M+HCOO]- 191.03612 145.3
[M+CH3COO]- 205.05177 176.5
[M+Na-2H]- 167.01259 129.7
[M]+ 146.03737 132.9
[M]- 146.03847 132.9
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.