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
1
Annotation Hits

0
References

17
Patents

367.9096 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.91688 188.0
[M+Na]+ 390.89882 202.7
[M+NH4]+ 385.94342 195.8
[M+K]+ 406.87276 193.3
[M-H]- 366.90232 189.7
[M+Na-2H]- 388.88427 194.7
[M]+ 367.90905 192.2
[M]- 367.91015 192.2
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