CID 35405

O,p'-methoxychlor

Structural Information

Molecular Formula

C₁₆H₁₅Cl₃O₂

SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl

InChI

InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3

InChIKey

KNLLPAOBVIKLDE-UHFFFAOYSA-N

Compound name

1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 344.01376 Da
Monoisotopic Mass: 5.4
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]+	345.02104	172.5
[M+Na]+	367.00298	181.4
[M-H]-	343.00648	177.5
[M+NH4]+	362.04758	187.5
[M+K]+	382.97692	175.3
[M+H-H2O]+	327.01102	167.2
[M+HCOO]-	389.01196	179.1
[M+CH3COO]-	403.02761	207.8
[M+Na-2H]-	364.98843	175.4
[M]+	344.01321	178.6
[M]-	344.01431	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe