CID 13419588

2-chloro-5-methyl-4-nitropyridine

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

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

InChI

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

InChIKey

PEGDFBBVKXPIME-UHFFFAOYSA-N

Compound name

2-chloro-5-methyl-4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	128.2
[M+Na]+	194.99317	143.7
[M+NH4]+	190.03777	137.2
[M+K]+	210.96711	139.6
[M-H]-	170.99667	131.4
[M+Na-2H]-	192.97862	135.8
[M]+	172.00340	131.6
[M]-	172.00450	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe