CID 262179

N-benzylidene-4-iodoaniline

Structural Information

Molecular Formula
C13H10IN
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H10IN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H
InChIKey
GHKQBRZHIADDSD-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.9858 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99308 152.1
[M+Na]+ 329.97502 152.6
[M-H]- 305.97852 152.4
[M+NH4]+ 325.01962 166.4
[M+K]+ 345.94896 154.7
[M+H-H2O]+ 289.98306 140.8
[M+HCOO]- 351.98400 173.7
[M+CH3COO]- 365.99965 197.0
[M+Na-2H]- 327.96047 148.1
[M]+ 306.98525 148.9
[M]- 306.98635 148.9
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