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

10
Patents

344.01376 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.