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]+ 206.036706 139.7
[M+Na]+ 228.018648 149.9
[M-H]- 204.022154 144.2
[M+NH4]+ 223.063253 157.7
[M+K]+ 243.992588 144.4
[M+H-H2O]+ 188.026690 133.2
[M+HCOO]- 250.027631 157.9
[M+CH3COO]- 264.043281 153.1
[M+Na-2H]- 226.004096 147.2
[M]+ 205.02888142 140.7
[M]- 205.02997858 140.7
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.