CID 10358676

4-(4-hydroxy-3-iodophenyl)benzonitrile

Structural Information

Molecular Formula
C13H8INO
SMILES
C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)O)I
InChI
InChI=1S/C13H8INO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H
InChIKey
GGJLASJZXUIMAG-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-iodophenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

320.96506 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.97234 159.8
[M+Na]+ 343.95428 164.5
[M-H]- 319.95778 158.0
[M+NH4]+ 338.99888 171.6
[M+K]+ 359.92822 163.8
[M+H-H2O]+ 303.96232 143.9
[M+HCOO]- 365.96326 174.5
[M+CH3COO]- 379.97891 204.7
[M+Na-2H]- 341.93973 153.5
[M]+ 320.96451 151.9
[M]- 320.96561 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe