CID 13499979

3-tert-butyl-6-chloropyridazine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CC(C)(C)C1=NN=C(C=C1)Cl

InChI

InChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-7(9)11-10-6/h4-5H,1-3H3

InChIKey

BMEMBHNMSYYDTO-UHFFFAOYSA-N

Compound name

3-tert-butyl-6-chloropyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 170.06108 Da
Monoisotopic Mass: 2.5
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]+	171.06836	135.1
[M+Na]+	193.05030	149.7
[M+NH4]+	188.09490	143.9
[M+K]+	209.02424	142.9
[M-H]-	169.05380	136.3
[M+Na-2H]-	191.03575	143.0
[M]+	170.06053	138.0
[M]-	170.06163	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe