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

68
Patents

195.06842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 146.0
[M+Na]+ 218.057638 157.0
[M-H]- 194.061144 150.8
[M+NH4]+ 213.102243 162.9
[M+K]+ 234.031578 151.0
[M+H-H2O]+ 178.065680 133.2
[M+HCOO]- 240.066621 165.8
[M+CH3COO]- 254.082271 157.8
[M+Na-2H]- 216.043086 151.8
[M]+ 195.06787142 140.0
[M]- 195.06896858 140.0
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