CID 9578

Bromopentafluorobenzene

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)Br)F)F)F

InChI

InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

XEKTVXADUPBFOA-UHFFFAOYSA-N

Compound name

1-bromo-2,3,4,5,6-pentafluorobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1807
Patents: 245.91035 Da
Monoisotopic Mass: 3.1
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]+	246.91763	160.9
[M+Na]+	268.89957	162.7
[M+NH4]+	263.94417	162.8
[M+K]+	284.87351	161.2
[M-H]-	244.90307	156.3
[M+Na-2H]-	266.88502	160.6
[M]+	245.90980	158.8
[M]-	245.91090	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe