CID 19076

1,1-bis(4-chlorophenyl)ethane

Structural Information

Molecular Formula
C14H12Cl2
SMILES
CC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10H,1H3
InChIKey
KTEARTXATWOYDB-UHFFFAOYSA-N
Compound name
1-chloro-4-[1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

555
Patents

250.0316 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03888 151.4
[M+Na]+ 273.02082 160.9
[M-H]- 249.02432 157.4
[M+NH4]+ 268.06542 170.1
[M+K]+ 288.99476 154.3
[M+H-H2O]+ 233.02886 146.0
[M+HCOO]- 295.02980 165.1
[M+CH3COO]- 309.04545 164.2
[M+Na-2H]- 271.00627 155.7
[M]+ 250.03105 154.2
[M]- 250.03215 154.2
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