CID 96516

M,p'-ddd

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 162.6
[M+Na]+ 340.94289 171.2
[M-H]- 316.94639 165.4
[M+NH4]+ 335.98749 177.8
[M+K]+ 356.91683 164.0
[M+H-H2O]+ 300.95093 158.2
[M+HCOO]- 362.95187 164.3
[M+CH3COO]- 376.96752 172.4
[M+Na-2H]- 338.92834 163.3
[M]+ 317.95312 164.5
[M]- 317.95422 164.5
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