CID 198812

3415-21-2

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃O₂S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=N2)C=CC(=N3)Cl

InChI

InChI=1S/C13H10ClN3O2S/c1-20(18,19)10-4-2-9(3-5-10)11-8-17-13(15-11)7-6-12(14)16-17/h2-8H,1H3

InChIKey

WPSCXNFUMRLJGB-UHFFFAOYSA-N

Compound name

6-chloro-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 307.01822 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]+	308.025496	167.0
[M+Na]+	330.007438	181.1
[M-H]-	306.010944	172.5
[M+NH4]+	325.052043	182.7
[M+K]+	345.981378	174.6
[M+H-H2O]+	290.015480	159.8
[M+HCOO]-	352.016421	179.3
[M+CH3COO]-	366.032071	179.7
[M+Na-2H]-	327.992886	171.8
[M]+	307.01767142	174.6
[M]-	307.01876858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe