CID 522635

1-chloro-3-[1-(4-chlorophenyl)ethyl]benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 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

No literature data available for this compound.

Patent stripe

patents stripe