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: 18
Patents: 203.95345 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.96073	132.5
[M+Na]+	226.94267	136.3
[M+NH4]+	221.98727	135.7
[M+K]+	242.91661	137.6
[M-H]-	202.94617	130.7
[M+Na-2H]-	224.92812	135.0
[M]+	203.95290	131.1
[M]-	203.95400	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe