CID 9809282

Tris(4-iodophenyl)amine

Structural Information

Molecular Formula
C18H12I3N
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)I
InChI
InChI=1S/C18H12I3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
AQGZDWJFOYXGAA-UHFFFAOYSA-N
Compound name
4-iodo-N,N-bis(4-iodophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

622.8104 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.817676 204.8
[M+Na]+ 645.799618 191.5
[M-H]- 621.803124 197.4
[M+NH4]+ 640.844223 204.3
[M+K]+ 661.773558 202.8
[M+H-H2O]+ 605.807660 189.0
[M+HCOO]- 667.808601 209.5
[M+CH3COO]- 681.824251 201.3
[M+Na-2H]- 643.785066 187.7
[M]+ 622.80985142 197.0
[M]- 622.81094858 197.0
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