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

3
Annotation Hits: 1
References: 1856
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	137.6
[M+Na]+	268.89957	153.8
[M-H]-	244.90307	139.3
[M+NH4]+	263.94417	159.4
[M+K]+	284.87351	141.5
[M+H-H2O]+	228.90761	134.7
[M+HCOO]-	290.90855	155.3
[M+CH3COO]-	304.92420	192.1
[M+Na-2H]-	266.88502	141.6
[M]+	245.90980	150.7
[M]-	245.91090	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe