CID 129873

Mitometh

Structural Information

Molecular Formula

C₁₅H₁₂Cl₄

SMILES

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

InChI

InChI=1S/C15H12Cl4/c1-15(18,19)14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)17/h2-9,14H,1H3

InChIKey

MOTIYCLHZZLHHQ-UHFFFAOYSA-N

Compound name

1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)propyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1
Patents: 331.9693 Da
Monoisotopic Mass: 6.4
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]+	332.97658	176.9
[M+Na]+	354.95852	193.3
[M+NH4]+	350.00312	186.3
[M+K]+	370.93246	183.0
[M-H]-	330.96202	180.7
[M+Na-2H]-	352.94397	185.5
[M]+	331.96875	181.8
[M]-	331.96985	181.8

Literature stripe

literature stripe

Patent stripe

patents stripe