CID 3779096

154848-44-9

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C#N
InChI
InChI=1S/C13H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8,15H
InChIKey
DTNKYIRPORWHHR-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

195.06842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 144.7
[M+Na]+ 218.05764 159.3
[M+NH4]+ 213.10224 150.5
[M+K]+ 234.03158 148.4
[M-H]- 194.06114 142.0
[M+Na-2H]- 216.04309 151.7
[M]+ 195.06787 145.4
[M]- 195.06897 145.4
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