CID 27281838

1017789-38-6

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=NC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-5-6(11)4-7(12)13-8/h4-5H,1-3H3,(H,13,14,15)

InChIKey

JFCFQIAVAYUUML-UHFFFAOYSA-N

Compound name

tert-butyl N-(4,6-dichloro-2-pyridinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 262.0276 Da
Monoisotopic Mass: 3.3
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]+	263.034876	154.2
[M+Na]+	285.016818	163.8
[M-H]-	261.020324	156.5
[M+NH4]+	280.061423	171.3
[M+K]+	300.990758	159.5
[M+H-H2O]+	245.024860	149.4
[M+HCOO]-	307.025801	166.6
[M+CH3COO]-	321.041451	194.8
[M+Na-2H]-	283.002266	159.1
[M]+	262.02705142	158.8
[M]-	262.02814858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe