CID 17469433

179687-79-7

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₃

SMILES

C1=CC=NC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN2O3/c13-11-7-10(15(16)17)4-5-12(11)18-8-9-3-1-2-6-14-9/h1-7H,8H2

InChIKey

GWYKHOLLVPAQFF-UHFFFAOYSA-N

Compound name

2-[(2-chloro-4-nitrophenoxy)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 264.03018 Da
Monoisotopic Mass: 2.8
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]+	265.03746	155.0
[M+Na]+	287.01940	163.0
[M-H]-	263.02290	160.3
[M+NH4]+	282.06400	169.9
[M+K]+	302.99334	154.7
[M+H-H2O]+	247.02744	151.9
[M+HCOO]-	309.02838	175.2
[M+CH3COO]-	323.04403	188.3
[M+Na-2H]-	285.00485	163.1
[M]+	264.02963	156.9
[M]-	264.03073	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe