CID 3778992

154848-43-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe