CID 13886

3-phenylpyridine

Structural Information

Molecular Formula
C11H9N
SMILES
C1=CC=C(C=C1)C2=CN=CC=C2
InChI
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey
HJKGBRPNSJADMB-UHFFFAOYSA-N
Compound name
3-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

9349
Patents

155.0735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08078 130.0
[M+Na]+ 178.06272 138.0
[M-H]- 154.06622 135.3
[M+NH4]+ 173.10732 149.3
[M+K]+ 194.03666 134.7
[M+H-H2O]+ 138.07076 122.5
[M+HCOO]- 200.07170 154.1
[M+CH3COO]- 214.08735 143.9
[M+Na-2H]- 176.04817 140.0
[M]+ 155.07295 128.5
[M]- 155.07405 128.5
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