CID 24688547

1016696-89-1

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
C1=CC(=O)N(NC1=O)CCBr
InChI
InChI=1S/C6H7BrN2O2/c7-3-4-9-6(11)2-1-5(10)8-9/h1-2H,3-4H2,(H,8,10)
InChIKey
XPEDBBXMRKYWGA-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.96909 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.976366 130.7
[M+Na]+ 240.958308 144.3
[M-H]- 216.961814 133.8
[M+NH4]+ 236.002913 150.1
[M+K]+ 256.932248 132.7
[M+H-H2O]+ 200.966350 130.4
[M+HCOO]- 262.967291 150.7
[M+CH3COO]- 276.982941 180.5
[M+Na-2H]- 238.943756 139.9
[M]+ 217.96854142 149.6
[M]- 217.96963858 149.6
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.