CID 4211

Mitotane

Structural Information

Molecular Formula
C14H10Cl4
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChIKey
JWBOIMRXGHLCPP-UHFFFAOYSA-N
Compound name
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

963
References

118316
Patents

317.95367 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96095 169.9
[M+Na]+ 340.94289 186.6
[M+NH4]+ 335.98749 179.6
[M+K]+ 356.91683 176.3
[M-H]- 316.94639 174.2
[M+Na-2H]- 338.92834 178.8
[M]+ 317.95312 174.9
[M]- 317.95422 174.9
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