CID 6485401

5-chloro-2-(pyridin-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

C1=CC(=CN=C1)OC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C11H9ClN2O/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h1-7H,13H2

InChIKey

VHYPYHTUANYJEQ-UHFFFAOYSA-N

Compound name

5-chloro-2-pyridin-3-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.04034 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.04762	144.6
[M+Na]+	243.02956	154.3
[M-H]-	219.03306	149.8
[M+NH4]+	238.07416	162.0
[M+K]+	259.00350	149.2
[M+H-H2O]+	203.03760	137.4
[M+HCOO]-	265.03854	164.7
[M+CH3COO]-	279.05419	157.8
[M+Na-2H]-	241.01501	151.8
[M]+	220.03979	145.7
[M]-	220.04089	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe