CID 2776850

59665-24-6

Structural Information

Molecular Formula

C₆H₂Br₃F₉

SMILES

C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(Br)Br)Br

InChI

InChI=1S/C6H2Br3F9/c7-1-2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18/h1H2

InChIKey

LEHFCMSFGKMRKH-UHFFFAOYSA-N

Compound name

5,5,6-tribromo-1,1,1,2,2,3,3,4,4-nonafluorohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 481.7563 Da
Monoisotopic Mass: 5.6
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]+	482.76358	198.0
[M+Na]+	504.74552	206.6
[M-H]-	480.74902	195.7
[M+NH4]+	499.79012	209.1
[M+K]+	520.71946	189.1
[M+H-H2O]+	464.75356	207.5
[M+HCOO]-	526.75450	197.9
[M+CH3COO]-	540.77015	231.5
[M+Na-2H]-	502.73097	198.0
[M]+	481.75575	227.4
[M]-	481.75685	227.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe