CID 23131481

1350449-23-8

Structural Information

Molecular Formula

C₉H₁₁Cl₂N

SMILES

CC(C)(C)C1=CC(=NC(=C1)Cl)Cl

InChI

InChI=1S/C9H11Cl2N/c1-9(2,3)6-4-7(10)12-8(11)5-6/h4-5H,1-3H3

InChIKey

NZBWJWSQADQOKF-UHFFFAOYSA-N

Compound name

4-tert-butyl-2,6-dichloropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 203.02686 Da
Monoisotopic Mass: 4.4
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]+	204.034136	139.7
[M+Na]+	226.016078	150.6
[M-H]-	202.019584	141.8
[M+NH4]+	221.060683	159.5
[M+K]+	241.990018	145.6
[M+H-H2O]+	186.024120	135.4
[M+HCOO]-	248.025061	151.6
[M+CH3COO]-	262.040711	184.6
[M+Na-2H]-	224.001526	145.9
[M]+	203.02631142	143.0
[M]-	203.02740858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe