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 141.7
[M+Na]+ 264.96462 155.0
[M-H]- 240.96812 146.8
[M+NH4]+ 260.00922 160.2
[M+K]+ 280.93856 144.7
[M+H-H2O]+ 224.97266 141.0
[M+HCOO]- 286.97360 159.6
[M+CH3COO]- 300.98925 191.9
[M+Na-2H]- 262.95007 146.8
[M]+ 241.97485 161.3
[M]- 241.97595 161.3
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.