CID 168446305

2-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one

Structural Information

Molecular Formula

C₅H₃BrN₄O

SMILES

C1=CN2C(=NC(=N2)Br)NC1=O

InChI

InChI=1S/C5H3BrN4O/c6-4-8-5-7-3(11)1-2-10(5)9-4/h1-2H,(H,7,8,9,11)

InChIKey

CMAYWAMPIPELJO-UHFFFAOYSA-N

Compound name

2-bromo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.94902 Da
Monoisotopic Mass: 0.5
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]+	214.95630	129.4
[M+Na]+	236.93824	145.6
[M-H]-	212.94174	131.7
[M+NH4]+	231.98284	149.2
[M+K]+	252.91218	134.0
[M+H-H2O]+	196.94628	128.8
[M+HCOO]-	258.94722	149.0
[M+CH3COO]-	272.96287	145.3
[M+Na-2H]-	234.92369	140.3
[M]+	213.94847	149.3
[M]-	213.94957	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe