CID 84726340

Tert-butyl 2-bromo-2,2-difluoroacetate

Structural Information

Molecular Formula
C6H9BrF2O2
SMILES
CC(C)(C)OC(=O)C(F)(F)Br
InChI
InChI=1S/C6H9BrF2O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChIKey
LIUMYBWTRZTNMS-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

229.9754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.982676 142.3
[M+Na]+ 252.964618 154.1
[M-H]- 228.968124 143.4
[M+NH4]+ 248.009223 164.1
[M+K]+ 268.938558 144.5
[M+H-H2O]+ 212.972660 142.3
[M+HCOO]- 274.973601 158.3
[M+CH3COO]- 288.989251 186.3
[M+Na-2H]- 250.950066 149.1
[M]+ 229.97485142 159.7
[M]- 229.97594858 159.7
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

patents stripe