CID 19093

Chlorine-ddt

Structural Information

Molecular Formula
C14H8Cl6
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl6/c15-11-5-1-9(2-6-11)13(17,14(18,19)20)10-3-7-12(16)8-4-10/h1-8H
InChIKey
JOQCINXYMZALAZ-UHFFFAOYSA-N
Compound name
1-chloro-4-[1,2,2,2-tetrachloro-1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

43
Patents

385.8757 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.882976 184.5
[M+Na]+ 408.864918 191.6
[M-H]- 384.868424 182.9
[M+NH4]+ 403.909523 195.1
[M+K]+ 424.838858 185.9
[M+H-H2O]+ 368.872960 179.5
[M+HCOO]- 430.873901 173.7
[M+CH3COO]- 444.889551 215.2
[M+Na-2H]- 406.850366 183.5
[M]+ 385.87515142 181.8
[M]- 385.87624858 181.8
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