CID 165389255

5-bromopyrrolo[1,2-b]pyridazine-7-carbaldehyde

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC2=C(C=C(N2N=C1)C=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-4-6(5-12)11-8(7)2-1-3-10-11/h1-5H
InChIKey
UGULVEFWYQXARA-UHFFFAOYSA-N
Compound name
5-bromopyrrolo[1,2-b]pyridazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95853 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96581 140.6
[M+Na]+ 246.94775 145.5
[M+NH4]+ 241.99235 145.5
[M+K]+ 262.92169 146.2
[M-H]- 222.95125 140.4
[M+Na-2H]- 244.93320 144.3
[M]+ 223.95798 140.0
[M]- 223.95908 140.0
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.