CID 57916314

Methyl 3-(3,3-difluorocyclobutyl)-3-oxopropanoate

Structural Information

Molecular Formula
C8H10F2O3
SMILES
COC(=O)CC(=O)C1CC(C1)(F)F
InChI
InChI=1S/C8H10F2O3/c1-13-7(12)2-6(11)5-3-8(9,10)4-5/h5H,2-4H2,1H3
InChIKey
DKSDUHFMMFAWKE-UHFFFAOYSA-N
Compound name
methyl 3-(3,3-difluorocyclobutyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

192.0598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06708 149.2
[M+Na]+ 215.04902 152.6
[M+NH4]+ 210.09362 152.0
[M+K]+ 231.02296 148.6
[M-H]- 191.05252 143.2
[M+Na-2H]- 213.03447 149.3
[M]+ 192.05925 146.5
[M]- 192.06035 146.5
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

patents stripe