CID 4115

Methoxychlor

Structural Information

Molecular Formula
C16H15Cl3O2
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
InChIKey
IAKOZHOLGAGEJT-UHFFFAOYSA-N
Compound name
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

871
References

26884
Patents

344.01376 Da
Monoisotopic Mass

5.1
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

literature stripe

Patent stripe

patents stripe