CID 12950430

Bis(4-iodophenyl)amine

Structural Information

Molecular Formula
C12H9I2N
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)I)I
InChI
InChI=1S/C12H9I2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H
InChIKey
SJLIWXXAQHNDHM-UHFFFAOYSA-N
Compound name
4-iodo-N-(4-iodophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

420.88245 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.88973 164.4
[M+Na]+ 443.87167 157.4
[M-H]- 419.87517 157.8
[M+NH4]+ 438.91627 171.8
[M+K]+ 459.84561 165.3
[M+H-H2O]+ 403.87971 151.1
[M+HCOO]- 465.88065 177.1
[M+CH3COO]- 479.89630 210.0
[M+Na-2H]- 441.85712 152.6
[M]+ 420.88190 157.9
[M]- 420.88300 157.9
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