CID 85928332

65429-62-1

Structural Information

Molecular Formula
C7H5ClN4O2
SMILES
CC1=CC2=NC=C(N2N=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClN4O2/c1-4-2-5-9-3-6(12(13)14)11(5)10-7(4)8/h2-3H,1H3
InChIKey
YGRVMLXLQWTZNO-UHFFFAOYSA-N
Compound name
6-chloro-7-methyl-3-nitroimidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01738 138.8
[M+Na]+ 234.99932 150.9
[M-H]- 211.00282 140.6
[M+NH4]+ 230.04392 156.8
[M+K]+ 250.97326 143.1
[M+H-H2O]+ 195.00736 136.4
[M+HCOO]- 257.00830 158.4
[M+CH3COO]- 271.02395 179.4
[M+Na-2H]- 232.98477 148.5
[M]+ 212.00955 141.9
[M]- 212.01065 141.9
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.