CID 46316943

4-chloro-2-(pyridin-3-yl)phenol

Structural Information

Molecular Formula
C11H8ClNO
SMILES
C1=CC(=CN=C1)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C11H8ClNO/c12-9-3-4-11(14)10(6-9)8-2-1-5-13-7-8/h1-7,14H
InChIKey
BTVUKPKQAWQANG-UHFFFAOYSA-N
Compound name
4-chloro-2-pyridin-3-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.02943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 140.8
[M+Na]+ 228.01865 157.8
[M+NH4]+ 223.06325 150.5
[M+K]+ 243.99259 149.2
[M-H]- 204.02215 145.3
[M+Na-2H]- 226.00410 151.5
[M]+ 205.02888 145.0
[M]- 205.02998 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.