CID 22254

1,2-dichloro-1,2-diphenylethane

Structural Information

Molecular Formula
C14H12Cl2
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
FJEFRYPSCFFXEX-UHFFFAOYSA-N
Compound name
(1,2-dichloro-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

250.0316 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03888 151.9
[M+Na]+ 273.02082 159.3
[M-H]- 249.02432 157.3
[M+NH4]+ 268.06542 169.8
[M+K]+ 288.99476 152.9
[M+H-H2O]+ 233.02886 146.2
[M+HCOO]- 295.02980 164.6
[M+CH3COO]- 309.04545 163.8
[M+Na-2H]- 271.00627 156.4
[M]+ 250.03105 153.4
[M]- 250.03215 153.4
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