CID 10344855

149068-56-4

Structural Information

Molecular Formula

C₁₂H₄BrF₁₃

SMILES

C1=CC(=CC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br

InChI

InChI=1S/C12H4BrF13/c13-6-3-1-5(2-4-6)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h1-4H

InChIKey

GKOWYWPSKDBJAF-UHFFFAOYSA-N

Compound name

1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 473.9289 Da
Monoisotopic Mass: 6.9
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]+	474.93618	205.6
[M+Na]+	496.91812	218.2
[M-H]-	472.92162	197.7
[M+NH4]+	491.96272	216.6
[M+K]+	512.89206	204.6
[M+H-H2O]+	456.92616	196.4
[M+HCOO]-	518.92710	204.5
[M+CH3COO]-	532.94275	228.1
[M+Na-2H]-	494.90357	207.3
[M]+	473.92835	203.2
[M]-	473.92945	203.2

Literature stripe

literature stripe

Patent stripe

patents stripe