CID 302489

2-phenylpyridine 1-oxide

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C(C=C1)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C11H9NO/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
MZBZERKDGUOLBE-UHFFFAOYSA-N
Compound name
1-oxido-2-phenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

171.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 134.3
[M+Na]+ 194.057638 142.4
[M-H]- 170.061144 138.6
[M+NH4]+ 189.102243 152.1
[M+K]+ 210.031578 134.2
[M+H-H2O]+ 154.065680 131.8
[M+HCOO]- 216.066621 157.7
[M+CH3COO]- 230.082271 169.4
[M+Na-2H]- 192.043086 144.6
[M]+ 171.06787142 131.0
[M]- 171.06896858 131.0
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