CID 56923654

6-bromo-1h,2h,3h,4h-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione

Structural Information

Molecular Formula
C6H4BrN3O2
SMILES
C1=C2C(=O)NC(=O)NN2C=C1Br
InChI
InChI=1S/C6H4BrN3O2/c7-3-1-4-5(11)8-6(12)9-10(4)2-3/h1-2H,(H2,8,9,11,12)
InChIKey
NETCQPWEMRFZLK-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

228.94868 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.95596 133.3
[M+Na]+ 251.93790 149.5
[M-H]- 227.94140 135.8
[M+NH4]+ 246.98250 153.3
[M+K]+ 267.91184 136.8
[M+H-H2O]+ 211.94594 133.4
[M+HCOO]- 273.94688 152.6
[M+CH3COO]- 287.96253 148.9
[M+Na-2H]- 249.92335 142.5
[M]+ 228.94813 152.3
[M]- 228.94923 152.3
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