CID 155821452

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

Structural Information

Molecular Formula
C7H4ClN3O
SMILES
C1=C2C(=CNC2=NN=C1Cl)C=O
InChI
InChI=1S/C7H4ClN3O/c8-6-1-5-4(3-12)2-9-7(5)11-10-6/h1-3H,(H,9,11)
InChIKey
MOLOWYPPAPVSCX-UHFFFAOYSA-N
Compound name
3-chloro-7H-pyrrolo[2,3-c]pyridazine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00429 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01157 132.0
[M+Na]+ 203.99351 145.1
[M-H]- 179.99701 132.0
[M+NH4]+ 199.03811 151.4
[M+K]+ 219.96745 139.8
[M+H-H2O]+ 164.00155 125.2
[M+HCOO]- 226.00249 149.5
[M+CH3COO]- 240.01814 145.9
[M+Na-2H]- 201.97896 140.2
[M]+ 181.00374 135.1
[M]- 181.00484 135.1
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.