CID 11162703

5-bromo-2,3-diphenylpyrazine

Structural Information

Molecular Formula

C₁₆H₁₁BrN₂

SMILES

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Br

InChI

InChI=1S/C16H11BrN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H

InChIKey

UNPRTNCCXQCEEP-UHFFFAOYSA-N

Compound name

5-bromo-2,3-diphenylpyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 310.01056 Da
Monoisotopic Mass: 4.1
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]+	311.01784	160.8
[M+Na]+	332.99978	169.2
[M+NH4]+	328.04438	166.7
[M+K]+	348.97372	165.9
[M-H]-	309.00328	165.7
[M+Na-2H]-	330.98523	170.3
[M]+	310.01001	162.6
[M]-	310.01111	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe