CID 72218479

Ethyl 2-bromo-2-(2,2-difluorocyclopropyl)acetate

Structural Information

Molecular Formula
C7H9BrF2O2
SMILES
CCOC(=O)C(C1CC1(F)F)Br
InChI
InChI=1S/C7H9BrF2O2/c1-2-12-6(11)5(8)4-3-7(4,9)10/h4-5H,2-3H2,1H3
InChIKey
AGTQZPPQNHMMIN-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-(2,2-difluorocyclopropyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98268 143.5
[M+Na]+ 264.96462 144.5
[M+NH4]+ 260.00922 148.0
[M+K]+ 280.93856 145.9
[M-H]- 240.96812 145.7
[M+Na-2H]- 262.95007 146.8
[M]+ 241.97485 143.9
[M]- 241.97595 143.9
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

No patent data available for this compound.