CID 1268230

56057-19-3

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

CC1=NC(=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3

InChIKey

UIEVSGOVFXWCIK-UHFFFAOYSA-N

Compound name

2-chloro-6-methyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 617
Patents: 172.00395 Da
Monoisotopic Mass: 2.0
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]+	173.01123	129.5
[M+Na]+	194.99317	139.3
[M-H]-	170.99667	132.3
[M+NH4]+	190.03777	148.9
[M+K]+	210.96711	132.7
[M+H-H2O]+	155.00121	129.1
[M+HCOO]-	217.00215	150.3
[M+CH3COO]-	231.01780	172.4
[M+Na-2H]-	192.97862	138.3
[M]+	172.00340	130.4
[M]-	172.00450	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe