CID 165881579

2839143-38-1

Structural Information

Molecular Formula
C7H11FO3
SMILES
COC(=O)C1(CC(C1)O)CF
InChI
InChI=1S/C7H11FO3/c1-11-6(10)7(4-8)2-5(9)3-7/h5,9H,2-4H2,1H3
InChIKey
DNUDSUBIYAFAJQ-UHFFFAOYSA-N
Compound name
methyl 1-(fluoromethyl)-3-hydroxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 132.1
[M+Na]+ 185.05845 138.4
[M-H]- 161.06195 133.4
[M+NH4]+ 180.10305 147.7
[M+K]+ 201.03239 140.9
[M+H-H2O]+ 145.06649 122.9
[M+HCOO]- 207.06743 151.2
[M+CH3COO]- 221.08308 177.7
[M+Na-2H]- 183.04390 136.4
[M]+ 162.06868 140.0
[M]- 162.06978 140.0
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.