CID 76467

4-iodobenzonitrile

Structural Information

Molecular Formula
C7H4IN
SMILES
C1=CC(=CC=C1C#N)I
InChI
InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
XOKDXPVXJWTSRM-UHFFFAOYSA-N
Compound name
4-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2403
Patents

228.93884 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.94612 132.7
[M+Na]+ 251.92806 139.2
[M+NH4]+ 246.97266 135.2
[M+K]+ 267.90200 132.4
[M-H]- 227.93156 123.4
[M+Na-2H]- 249.91351 127.3
[M]+ 228.93829 129.4
[M]- 228.93939 129.4
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