CID 21278

1,2-bis(4-chlorophenyl)ethane

Structural Information

Molecular Formula
C14H12Cl2
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKey
HTHGRQSFMYIQHB-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

69
Patents

250.0316 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03888 152.1
[M+Na]+ 273.02082 161.8
[M-H]- 249.02432 157.9
[M+NH4]+ 268.06542 170.7
[M+K]+ 288.99476 154.7
[M+H-H2O]+ 233.02886 146.4
[M+HCOO]- 295.02980 166.6
[M+CH3COO]- 309.04545 164.9
[M+Na-2H]- 271.00627 157.4
[M]+ 250.03105 155.3
[M]- 250.03215 155.3
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