CID 3035

P,p'-dde

Structural Information

Molecular Formula
C14H8Cl4
SMILES
C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
UCNVFOCBFJOQAL-UHFFFAOYSA-N
Compound name
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3093
References

1448
Patents

315.93802 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.94530 162.4
[M+Na]+ 338.92724 171.3
[M-H]- 314.93074 165.2
[M+NH4]+ 333.97184 177.6
[M+K]+ 354.90118 163.6
[M+H-H2O]+ 298.93528 158.0
[M+HCOO]- 360.93622 164.2
[M+CH3COO]- 374.95187 172.2
[M+Na-2H]- 336.91269 163.0
[M]+ 315.93747 163.5
[M]- 315.93857 163.5
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