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

20
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 176.3
[M+Na]+ 390.89882 184.5
[M-H]- 366.90232 176.4
[M+NH4]+ 385.94342 188.4
[M+K]+ 406.87276 177.8
[M+H-H2O]+ 350.90686 172.2
[M+HCOO]- 412.90780 170.0
[M+CH3COO]- 426.92345 208.9
[M+Na-2H]- 388.88427 177.8
[M]+ 367.90905 175.9
[M]- 367.91015 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