CID 129981161

3-(chloromethyl)imidazo[1,2-b]pyridazine hydrochloride

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC2=NC=C(N2N=C1)CCl
InChI
InChI=1S/C7H6ClN3/c8-4-6-5-9-7-2-1-3-10-11(6)7/h1-3,5H,4H2
InChIKey
BMAQYBQINBAAFP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)imidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02502 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 129.2
[M+Na]+ 190.014238 141.7
[M-H]- 166.017744 130.1
[M+NH4]+ 185.058843 149.7
[M+K]+ 205.988178 137.3
[M+H-H2O]+ 150.022280 121.8
[M+HCOO]- 212.023221 147.8
[M+CH3COO]- 226.038871 143.6
[M+Na-2H]- 187.999686 138.6
[M]+ 167.02447142 133.0
[M]- 167.02556858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.