CID 140610

4'-hydroxy-4-biphenylcarbonitrile

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
InChIKey
ZRMIETZFPZGBEB-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1886
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 146.0
[M+Na]+ 218.05764 157.0
[M-H]- 194.06114 150.8
[M+NH4]+ 213.10224 162.9
[M+K]+ 234.03158 151.0
[M+H-H2O]+ 178.06568 133.2
[M+HCOO]- 240.06662 165.8
[M+CH3COO]- 254.08227 157.8
[M+Na-2H]- 216.04309 151.8
[M]+ 195.06787 140.0
[M]- 195.06897 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

literature stripe

Patent stripe

patents stripe