CID 901072

4-(pyrimidin-2-yloxy)benzonitrile

Structural Information

Molecular Formula
C11H7N3O
SMILES
C1=CN=C(N=C1)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H7N3O/c12-8-9-2-4-10(5-3-9)15-11-13-6-1-7-14-11/h1-7H
InChIKey
GJOHLRSDLHLMOW-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

197.05891 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06619 145.4
[M+Na]+ 220.04813 160.1
[M+NH4]+ 215.09273 150.3
[M+K]+ 236.02207 149.5
[M-H]- 196.05163 141.6
[M+Na-2H]- 218.03358 152.7
[M]+ 197.05836 145.7
[M]- 197.05946 145.7
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

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