CID 91566

O,p'-dicofol

Structural Information

Molecular Formula
C14H9Cl5O
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
InChI
InChI=1S/C14H9Cl5O/c15-10-7-5-9(6-8-10)13(20,14(17,18)19)11-3-1-2-4-12(11)16/h1-8,20H
InChIKey
LUXSISXJGNCOKN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-(2-chlorophenyl)-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

367.9096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.916876 176.3
[M+Na]+ 390.898818 184.5
[M-H]- 366.902324 176.4
[M+NH4]+ 385.943423 188.4
[M+K]+ 406.872758 177.8
[M+H-H2O]+ 350.906860 172.2
[M+HCOO]- 412.907801 170.0
[M+CH3COO]- 426.923451 208.9
[M+Na-2H]- 388.884266 177.8
[M]+ 367.90905142 175.9
[M]- 367.91014858 175.9
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

patents stripe