CID 76849750

1209782-02-4

Structural Information

Molecular Formula

C₆H₃BrClN₃

SMILES

C1=C2C(=NC=C(N2C=N1)Br)Cl

InChI

InChI=1S/C6H3BrClN3/c7-5-2-10-6(8)4-1-9-3-11(4)5/h1-3H

InChIKey

ZXAOZDUZOLCLGD-UHFFFAOYSA-N

Compound name

5-bromo-8-chloroimidazo[1,5-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 230.91989 Da
Monoisotopic Mass: 2.8
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]+	231.92717	132.7
[M+Na]+	253.90911	149.7
[M-H]-	229.91261	137.1
[M+NH4]+	248.95371	154.8
[M+K]+	269.88305	137.3
[M+H-H2O]+	213.91715	132.6
[M+HCOO]-	275.91809	149.7
[M+CH3COO]-	289.93374	149.3
[M+Na-2H]-	251.89456	143.2
[M]+	230.91934	155.1
[M]-	230.92044	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe