CID 56845243

6-bromo-3-iodopyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula

C₆H₃BrIN₃

SMILES

C1=C(C=NC2=C(C=NN21)I)Br

InChI

InChI=1S/C6H3BrIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H

InChIKey

YYRFAUZQNJMKHU-UHFFFAOYSA-N

Compound name

6-bromo-3-iodopyrazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 322.8555 Da
Monoisotopic Mass: 1.7
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]+	323.862776	132.6
[M+Na]+	345.844718	141.5
[M-H]-	321.848224	130.6
[M+NH4]+	340.889323	149.7
[M+K]+	361.818658	136.5
[M+H-H2O]+	305.852760	128.8
[M+HCOO]-	367.853701	149.5
[M+CH3COO]-	381.869351	145.1
[M+Na-2H]-	343.830166	132.5
[M]+	322.85495142	150.1
[M]-	322.85604858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe