CID 11344746

732295-61-3

Structural Information

Molecular Formula
C5H5BrN2O2
SMILES
CC1=C(C(=O)NNC1=O)Br
InChI
InChI=1S/C5H5BrN2O2/c1-2-3(6)5(10)8-7-4(2)9/h1H3,(H,7,9)(H,8,10)
InChIKey
ZIDQZSSEZGQVMQ-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,2-dihydropyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

203.95345 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96073 127.1
[M+Na]+ 226.94267 141.5
[M-H]- 202.94617 129.4
[M+NH4]+ 221.98727 146.5
[M+K]+ 242.91661 129.1
[M+H-H2O]+ 186.95071 127.3
[M+HCOO]- 248.95165 145.9
[M+CH3COO]- 262.96730 176.4
[M+Na-2H]- 224.92812 135.5
[M]+ 203.95290 144.2
[M]- 203.95400 144.2
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

patents stripe