CID 132006652

6-bromopyrrolo[1,2-b]pyridazin-4-ol

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1=CNN2C=C(C=C2C1=O)Br
InChI
InChI=1S/C7H5BrN2O/c8-5-3-6-7(11)1-2-9-10(6)4-5/h1-4,9H
InChIKey
DYMBAXDLWYVBIG-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrrolo[1,2-b]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

211.95853 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.96581 132.2
[M+Na]+ 234.94775 147.5
[M-H]- 210.95125 136.8
[M+NH4]+ 229.99235 154.6
[M+K]+ 250.92169 135.7
[M+H-H2O]+ 194.95579 132.5
[M+HCOO]- 256.95673 153.5
[M+CH3COO]- 270.97238 148.5
[M+Na-2H]- 232.93320 142.0
[M]+ 211.95798 151.7
[M]- 211.95908 151.7
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

patents stripe