CID 165746886

Tert-butyl3-bromo-2,2-difluoropropanoate

Structural Information

Molecular Formula
C7H11BrF2O2
SMILES
CC(C)(C)OC(=O)C(CBr)(F)F
InChI
InChI=1S/C7H11BrF2O2/c1-6(2,3)12-5(11)7(9,10)4-8/h4H2,1-3H3
InChIKey
GWPDOEXHLAVSBW-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.99104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99832 147.1
[M+Na]+ 266.98026 158.4
[M-H]- 242.98376 148.0
[M+NH4]+ 262.02486 168.4
[M+K]+ 282.95420 148.6
[M+H-H2O]+ 226.98830 146.9
[M+HCOO]- 288.98924 162.8
[M+CH3COO]- 303.00489 189.1
[M+Na-2H]- 264.96571 153.4
[M]+ 243.99049 164.8
[M]- 243.99159 164.8
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.