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

190
Patents

308.03708 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.