CID 2762441

Alpha,alpha'-dibromo-2,5-dichloro-p-xylene

Structural Information

Molecular Formula

C₈H₆Br₂Cl₂

SMILES

C1=C(C(=CC(=C1Cl)CBr)Cl)CBr

InChI

InChI=1S/C8H6Br2Cl2/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2

InChIKey

UUZPLRRGKQEIMA-UHFFFAOYSA-N

Compound name

1,4-bis(bromomethyl)-2,5-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 329.82132 Da
Monoisotopic Mass: 4.3
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]+	330.82860	142.8
[M+Na]+	352.81054	157.0
[M-H]-	328.81404	149.6
[M+NH4]+	347.85514	162.8
[M+K]+	368.78448	138.6
[M+H-H2O]+	312.81858	152.5
[M+HCOO]-	374.81952	152.0
[M+CH3COO]-	388.83517	206.7
[M+Na-2H]-	350.79599	149.4
[M]+	329.82077	178.8
[M]-	329.82187	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe