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

37
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 138.4
[M+Na]+ 215.04902 144.8
[M-H]- 191.05252 139.6
[M+NH4]+ 210.09362 153.2
[M+K]+ 231.02296 147.4
[M+H-H2O]+ 175.05706 127.9
[M+HCOO]- 237.05800 156.7
[M+CH3COO]- 251.07365 185.9
[M+Na-2H]- 213.03447 140.8
[M]+ 192.05925 145.9
[M]- 192.06035 145.9
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

patents stripe