CID 10846412

6-chloro-2-isopropoxy-3-nitropyridine

Structural Information

Molecular Formula

C₈H₉ClN₂O₃

SMILES

CC(C)OC1=C(C=CC(=N1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H9ClN2O3/c1-5(2)14-8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3

InChIKey

DKFKAZUTHFILIQ-UHFFFAOYSA-N

Compound name

6-chloro-3-nitro-2-propan-2-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 216.03017 Da
Monoisotopic Mass: 2.7
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]+	217.03745	140.1
[M+Na]+	239.01939	154.4
[M+NH4]+	234.06399	148.1
[M+K]+	254.99333	151.2
[M-H]-	215.02289	142.6
[M+Na-2H]-	237.00484	146.4
[M]+	216.02962	143.0
[M]-	216.03072	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe