CID 14004394

2-phenylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C11H7N3
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)C#N
InChI
InChI=1S/C11H7N3/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKey
OZDRGIMFRMFITG-UHFFFAOYSA-N
Compound name
2-phenylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

181.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07128 138.4
[M+Na]+ 204.05322 149.0
[M-H]- 180.05672 140.8
[M+NH4]+ 199.09782 153.3
[M+K]+ 220.02716 143.9
[M+H-H2O]+ 164.06126 123.2
[M+HCOO]- 226.06220 157.1
[M+CH3COO]- 240.07785 149.8
[M+Na-2H]- 202.03867 146.5
[M]+ 181.06345 132.3
[M]- 181.06455 132.3
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