CID 200510

3-phenoxypyridine

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C(C=C1)OC2=CN=CC=C2
InChI
InChI=1S/C11H9NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
InChIKey
KDGUIKPOZGYLQJ-UHFFFAOYSA-N
Compound name
3-phenoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1355
Patents

171.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.5
[M+Na]+ 194.05764 141.5
[M-H]- 170.06114 138.9
[M+NH4]+ 189.10224 152.1
[M+K]+ 210.03158 138.7
[M+H-H2O]+ 154.06568 125.8
[M+HCOO]- 216.06662 157.9
[M+CH3COO]- 230.08227 147.3
[M+Na-2H]- 192.04309 143.5
[M]+ 171.06787 133.5
[M]- 171.06897 133.5
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