CID 19351990

4-(4-chlorophenoxy)iodobenzene

Structural Information

Molecular Formula
C12H8ClIO
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)I)Cl
InChI
InChI=1S/C12H8ClIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
TVALFKNJYMGMJE-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-iodophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

329.93085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.93813 151.4
[M+Na]+ 352.92007 154.1
[M-H]- 328.92357 150.9
[M+NH4]+ 347.96467 165.7
[M+K]+ 368.89401 155.0
[M+H-H2O]+ 312.92811 141.6
[M+HCOO]- 374.92905 166.8
[M+CH3COO]- 388.94470 195.1
[M+Na-2H]- 350.90552 146.4
[M]+ 329.93030 151.4
[M]- 329.93140 151.4
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