CID 109083

61433-91-8

Structural Information

Molecular Formula

C₄H₄BrF₃O₂

SMILES

C(C(=O)OCC(F)(F)F)Br

InChI

InChI=1S/C4H4BrF3O2/c5-1-3(9)10-2-4(6,7)8/h1-2H2

InChIKey

IKQJUNXXIIHEKP-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 219.93468 Da
Monoisotopic Mass: 2.0
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]+	220.94196	147.4
[M+Na]+	242.92390	146.5
[M+NH4]+	237.96850	149.2
[M+K]+	258.89784	147.7
[M-H]-	218.92740	141.0
[M+Na-2H]-	240.90935	145.9
[M]+	219.93413	144.0
[M]-	219.93523	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe