CID 84726340

263723-24-6

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: 44
Patents: 229.9754 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.98268	147.8
[M+Na]+	252.96462	147.1
[M+NH4]+	248.00922	150.0
[M+K]+	268.93856	149.2
[M-H]-	228.96812	142.1
[M+Na-2H]-	250.95007	146.7
[M]+	229.97485	144.7
[M]-	229.97595	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe