CID 550523

1,1-dibromo-3,3,3-trifluoroacetone

Structural Information

Molecular Formula

C₃HBr₂F₃O

SMILES

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

InChI

InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H

InChIKey

HEPPAPZASXFWTB-UHFFFAOYSA-N

Compound name

3,3-dibromo-1,1,1-trifluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1033
Patents: 267.83463 Da
Monoisotopic Mass: 2.7
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]+	268.84191	152.3
[M+Na]+	290.82385	145.6
[M+NH4]+	285.86845	152.7
[M+K]+	306.79779	152.1
[M-H]-	266.82735	148.8
[M+Na-2H]-	288.80930	150.7
[M]+	267.83408	149.1
[M]-	267.83518	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe