CID 168444591

Ethyl 2-(3,3-difluorocyclobutyl)acetate

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CCOC(=O)CC1CC(C1)(F)F
InChI
InChI=1S/C8H12F2O2/c1-2-12-7(11)3-6-4-8(9,10)5-6/h6H,2-5H2,1H3
InChIKey
ZFDFOJNBPPOIJL-UHFFFAOYSA-N
Compound name
ethyl 2-(3,3-difluorocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 135.7
[M+Na]+ 201.06976 142.3
[M-H]- 177.07326 137.0
[M+NH4]+ 196.11436 151.4
[M+K]+ 217.04370 144.5
[M+H-H2O]+ 161.07780 125.4
[M+HCOO]- 223.07874 154.8
[M+CH3COO]- 237.09439 184.0
[M+Na-2H]- 199.05521 139.5
[M]+ 178.07999 143.2
[M]- 178.08109 143.2
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.