CID 167726676

3-chloro-7-iodo-5h-pyrrolo[3,2-c]pyridazine

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=C2C(=NN=C1Cl)C(=CN2)I
InChI
InChI=1S/C6H3ClIN3/c7-5-1-4-6(11-10-5)3(8)2-9-4/h1-2,9H
InChIKey
YCZSLXKOBRAPFT-UHFFFAOYSA-N
Compound name
3-chloro-7-iodo-5H-pyrrolo[3,2-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.91328 133.9
[M+Na]+ 301.89522 141.5
[M+NH4]+ 296.93982 138.4
[M+K]+ 317.86916 139.7
[M-H]- 277.89872 128.6
[M+Na-2H]- 299.88067 129.0
[M]+ 278.90545 132.7
[M]- 278.90655 132.7
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.