CID 16781212

524955-09-7

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O

SMILES

C1=CC=NC(=C1)COC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C12H11ClN2O/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7H,8,14H2

InChIKey

XCAPJQSICQSUJP-UHFFFAOYSA-N

Compound name

3-chloro-4-(pyridin-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 527
Patents: 234.05598 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]+	235.06326	149.2
[M+Na]+	257.04520	158.5
[M-H]-	233.04870	154.2
[M+NH4]+	252.08980	166.1
[M+K]+	273.01914	153.1
[M+H-H2O]+	217.05324	141.8
[M+HCOO]-	279.05418	168.9
[M+CH3COO]-	293.06983	190.9
[M+Na-2H]-	255.03065	155.8
[M]+	234.05543	150.7
[M]-	234.05653	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe