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

4
Patents

250.0316 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.038876 151.4
[M+Na]+ 273.020818 160.9
[M-H]- 249.024324 157.4
[M+NH4]+ 268.065423 170.1
[M+K]+ 288.994758 154.3
[M+H-H2O]+ 233.028860 146.0
[M+HCOO]- 295.029801 165.1
[M+CH3COO]- 309.045451 164.2
[M+Na-2H]- 271.006266 155.7
[M]+ 250.03105142 154.2
[M]- 250.03214858 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