CID 57352521

675580-49-1

Structural Information

Molecular Formula

C₇H₆ClN₃O

SMILES

C1=CC(=NN2C1=NC=C2CO)Cl

InChI

InChI=1S/C7H6ClN3O/c8-6-1-2-7-9-3-5(4-12)11(7)10-6/h1-3,12H,4H2

InChIKey

VZFRNQCOHYEZFL-UHFFFAOYSA-N

Compound name

(6-chloroimidazo[1,2-b]pyridazin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 183.01994 Da
Monoisotopic Mass: 0.4
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]+	184.02722	132.6
[M+Na]+	206.00916	147.7
[M+NH4]+	201.05376	141.0
[M+K]+	221.98310	142.7
[M-H]-	182.01266	133.0
[M+Na-2H]-	203.99461	139.5
[M]+	183.01939	135.1
[M]-	183.02049	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe