CID 155821799

2490400-74-1

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
CCOC(=O)C1=CC(=C2N1N=CC=C2)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-6-7(11)8-4-3-5-12-13(8)9/h3-6H,2H2,1H3
InChIKey
HLBATLDZHYUDQS-UHFFFAOYSA-N
Compound name
ethyl 5-bromopyrrolo[1,2-b]pyridazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.98474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99202 148.3
[M+Na]+ 290.97396 162.4
[M-H]- 266.97746 153.9
[M+NH4]+ 286.01856 169.1
[M+K]+ 306.94790 151.8
[M+H-H2O]+ 250.98200 147.7
[M+HCOO]- 312.98294 169.3
[M+CH3COO]- 326.99859 192.3
[M+Na-2H]- 288.95941 155.9
[M]+ 267.98419 171.2
[M]- 267.98529 171.2
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.