CID 36402

2,3,5,6-tetrachlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₆Cl₄

SMILES

C1=CC=C(C=C1)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl

InChI

InChI=1S/C12H6Cl4/c13-8-6-9(14)12(16)10(11(8)15)7-4-2-1-3-5-7/h1-6H

InChIKey

BLAYIQLVUNIICD-UHFFFAOYSA-N

Compound name

1,2,4,5-tetrachloro-3-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 32
Patents: 289.92236 Da
Monoisotopic Mass: 5.9
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]+	290.92964	160.6
[M+Na]+	312.91158	178.9
[M+NH4]+	307.95618	170.8
[M+K]+	328.88552	168.0
[M-H]-	288.91508	165.4
[M+Na-2H]-	310.89703	170.3
[M]+	289.92181	166.1
[M]-	289.92291	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe