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]+ 218.97637 130.7
[M+Na]+ 240.95831 144.3
[M-H]- 216.96181 133.8
[M+NH4]+ 236.00291 150.1
[M+K]+ 256.93225 132.7
[M+H-H2O]+ 200.96635 130.4
[M+HCOO]- 262.96729 150.7
[M+CH3COO]- 276.98294 180.5
[M+Na-2H]- 238.94376 139.9
[M]+ 217.96854 149.6
[M]- 217.96964 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.