CID 165989003

Methyl 1-(fluoromethyl)-3-oxocyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H9FO3
SMILES
COC(=O)C1(CC(=O)C1)CF
InChI
InChI=1S/C7H9FO3/c1-11-6(10)7(4-8)2-5(9)3-7/h2-4H2,1H3
InChIKey
PGGNIZDFPGLACC-UHFFFAOYSA-N
Compound name
methyl 1-(fluoromethyl)-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05357 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.06085 128.9
[M+Na]+ 183.04279 136.0
[M-H]- 159.04629 131.7
[M+NH4]+ 178.08739 145.2
[M+K]+ 199.01673 138.8
[M+H-H2O]+ 143.05083 119.6
[M+HCOO]- 205.05177 149.7
[M+CH3COO]- 219.06742 179.4
[M+Na-2H]- 181.02824 133.9
[M]+ 160.05302 138.0
[M]- 160.05412 138.0
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.