CID 8268

Dicofol

Structural Information

Molecular Formula
C14H9Cl5O
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl
InChI
InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
UOAMTSKGCBMZTC-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

321
References

26136
Patents

367.9096 Da
Monoisotopic Mass

4.3
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

literature stripe

Patent stripe

patents stripe