CID 2736359

51249-64-0

Structural Information

Molecular Formula

C₈H₂BrF₁₃

SMILES

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

InChI

InChI=1S/C8H2BrF13/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H2

InChIKey

KSXRFZHNNOXBLE-UHFFFAOYSA-N

Compound name

2-bromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 423.91324 Da
Monoisotopic Mass: 5.8
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]+	424.92052	190.2
[M+Na]+	446.90246	202.4
[M-H]-	422.90596	179.6
[M+NH4]+	441.94706	202.8
[M+K]+	462.87640	189.8
[M+H-H2O]+	406.91050	182.1
[M+HCOO]-	468.91144	188.5
[M+CH3COO]-	482.92709	220.8
[M+Na-2H]-	444.88791	191.4
[M]+	423.91269	186.3
[M]-	423.91379	186.3

Literature stripe

literature stripe

Patent stripe

patents stripe