CID 183679

Monodemethylmethoxychlor

Structural Information

Molecular Formula
C15H13Cl3O2
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl
InChI
InChI=1S/C15H13Cl3O2/c1-20-13-8-4-11(5-9-13)14(15(16,17)18)10-2-6-12(19)7-3-10/h2-9,14,19H,1H3
InChIKey
BUZUQNXGKRJIJT-UHFFFAOYSA-N
Compound name
4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

9
Patents

329.9981 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00538 172.8
[M+Na]+ 352.98732 188.4
[M+NH4]+ 348.03192 181.4
[M+K]+ 368.96126 179.8
[M-H]- 328.99082 176.0
[M+Na-2H]- 350.97277 181.1
[M]+ 329.99755 177.0
[M]- 329.99865 177.0
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