CID 4304230

4-chloro-4'-iodobiphenyl

Structural Information

Molecular Formula
C12H8ClI
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)Cl
InChI
InChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
HCHAMYGZDLHKMD-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

313.93594 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.94322 146.6
[M+Na]+ 336.92516 149.4
[M-H]- 312.92866 146.1
[M+NH4]+ 331.96976 161.6
[M+K]+ 352.89910 149.8
[M+H-H2O]+ 296.93320 137.1
[M+HCOO]- 358.93414 161.9
[M+CH3COO]- 372.94979 156.3
[M+Na-2H]- 334.91061 141.8
[M]+ 313.93539 145.3
[M]- 313.93649 145.3
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