CID 75048

Methoxychlor olefin

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3

InChIKey

YCRYSVKEWAWTGI-UHFFFAOYSA-N

Compound name

1-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 129
Patents: 308.03708 Da
Monoisotopic Mass: 5.6
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]+	309.04436	165.4
[M+Na]+	331.02630	174.0
[M-H]-	307.02980	171.4
[M+NH4]+	326.07090	181.5
[M+K]+	347.00024	168.0
[M+H-H2O]+	291.03434	159.5
[M+HCOO]-	353.03528	178.2
[M+CH3COO]-	367.05093	202.6
[M+Na-2H]-	329.01175	167.5
[M]+	308.03653	170.5
[M]-	308.03763	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe