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]+ 179.087816 135.7
[M+Na]+ 201.069758 142.3
[M-H]- 177.073264 137.0
[M+NH4]+ 196.114363 151.4
[M+K]+ 217.043698 144.5
[M+H-H2O]+ 161.077800 125.4
[M+HCOO]- 223.078741 154.8
[M+CH3COO]- 237.094391 184.0
[M+Na-2H]- 199.055206 139.5
[M]+ 178.07999142 143.2
[M]- 178.08108858 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.