CID 26199

1,2-diphenyl tetrachloroethane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

186
References

896
Patents

317.95367 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96095 167.6
[M+Na]+ 340.94289 175.6
[M-H]- 316.94639 170.3
[M+NH4]+ 335.98749 182.4
[M+K]+ 356.91683 168.3
[M+H-H2O]+ 300.95093 162.4
[M+HCOO]- 362.95187 167.8
[M+CH3COO]- 376.96752 202.3
[M+Na-2H]- 338.92834 172.3
[M]+ 317.95312 168.6
[M]- 317.95422 168.6
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