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]+ 182.011566 132.0
[M+Na]+ 203.993508 145.1
[M-H]- 179.997014 132.0
[M+NH4]+ 199.038113 151.4
[M+K]+ 219.967448 139.8
[M+H-H2O]+ 164.001550 125.2
[M+HCOO]- 226.002491 149.5
[M+CH3COO]- 240.018141 145.9
[M+Na-2H]- 201.978956 140.2
[M]+ 181.00374142 135.1
[M]- 181.00483858 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.