CID 175515

108288-02-4

Structural Information

Molecular Formula

C₈H₁₀Cl₂N₂O

SMILES

CC(C)(CO)C1=CC(=NN=C1Cl)Cl

InChI

InChI=1S/C8H10Cl2N2O/c1-8(2,4-13)5-3-6(9)11-12-7(5)10/h3,13H,4H2,1-2H3

InChIKey

JCUPTUDLHBGJHJ-UHFFFAOYSA-N

Compound name

2-(3,6-dichloropyridazin-4-yl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 220.01701 Da
Monoisotopic Mass: 2.2
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]+	221.02429	142.8
[M+Na]+	243.00623	153.4
[M-H]-	219.00973	142.2
[M+NH4]+	238.05083	159.7
[M+K]+	258.98017	148.3
[M+H-H2O]+	203.01427	137.6
[M+HCOO]-	265.01521	152.3
[M+CH3COO]-	279.03086	184.3
[M+Na-2H]-	240.99168	149.1
[M]+	220.01646	145.7
[M]-	220.01756	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe