CID 129087790

5-bromopyrrolo[1,2-b]pyridazine

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC2=C(C=CN2N=C1)Br
InChI
InChI=1S/C7H5BrN2/c8-6-3-5-10-7(6)2-1-4-9-10/h1-5H
InChIKey
UZPZXGXSPXOHLL-UHFFFAOYSA-N
Compound name
5-bromopyrrolo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

195.96361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 129.5
[M+Na]+ 218.95283 144.4
[M-H]- 194.95633 135.1
[M+NH4]+ 213.99743 153.1
[M+K]+ 234.92677 133.7
[M+H-H2O]+ 178.96087 129.7
[M+HCOO]- 240.96181 152.1
[M+CH3COO]- 254.97746 146.4
[M+Na-2H]- 216.93828 140.6
[M]+ 195.96306 149.8
[M]- 195.96416 149.8
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