CID 42609596

1184916-24-2

Structural Information

Molecular Formula

C₇H₆ClN₃O

SMILES

C1=CC(=NN2C1=NC(=C2)CO)Cl

InChI

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

InChIKey

NNACWOFKWGHMIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	184.027216	132.7
[M+Na]+	206.009158	145.6
[M-H]-	182.012664	132.8
[M+NH4]+	201.053763	152.1
[M+K]+	221.983098	140.8
[M+H-H2O]+	166.017200	125.9
[M+HCOO]-	228.018141	150.0
[M+CH3COO]-	242.033791	146.6
[M+Na-2H]-	203.994606	141.0
[M]+	183.01939142	136.5
[M]-	183.02048858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe