CID 18615936

4-iodotriphenylamine

Structural Information

Molecular Formula
C18H14IN
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)I
InChI
InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey
OWWVTWHBNAWUJO-UHFFFAOYSA-N
Compound name
4-iodo-N,N-diphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

371.0171 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02438 170.3
[M+Na]+ 394.00632 169.2
[M-H]- 370.00982 172.8
[M+NH4]+ 389.05092 181.2
[M+K]+ 409.98026 170.5
[M+H-H2O]+ 354.01436 157.2
[M+HCOO]- 416.01530 190.2
[M+CH3COO]- 430.03095 177.8
[M+Na-2H]- 391.99177 165.1
[M]+ 371.01655 166.0
[M]- 371.01765 166.0
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