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: 46
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	142.3
[M+Na]+	252.96462	154.1
[M-H]-	228.96812	143.4
[M+NH4]+	248.00922	164.1
[M+K]+	268.93856	144.5
[M+H-H2O]+	212.97266	142.3
[M+HCOO]-	274.97360	158.3
[M+CH3COO]-	288.98925	186.3
[M+Na-2H]-	250.95007	149.1
[M]+	229.97485	159.7
[M]-	229.97595	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe