CID 10358676

460746-47-8

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 159.5
[M+Na]+ 343.95428 166.9
[M+NH4]+ 338.99888 161.2
[M+K]+ 359.92822 159.3
[M-H]- 319.95778 151.4
[M+Na-2H]- 341.93973 154.4
[M]+ 320.96451 156.7
[M]- 320.96561 156.7
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