CID 41540

2,3,6-trichlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₇Cl₃

SMILES

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

InChI

InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H

InChIKey

LVROLHVSYNLFBE-UHFFFAOYSA-N

Compound name

1,2,4-trichloro-3-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 32
Patents: 255.96133 Da
Monoisotopic Mass: 5.7
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]+	256.96861	151.5
[M+Na]+	278.95055	170.2
[M+NH4]+	273.99515	162.4
[M+K]+	294.92449	159.4
[M-H]-	254.95405	157.1
[M+Na-2H]-	276.93600	162.4
[M]+	255.96078	157.0
[M]-	255.96188	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe