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

23
Patents

310.01056 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.017836 161.7
[M+Na]+ 332.999778 173.2
[M-H]- 309.003284 171.1
[M+NH4]+ 328.044383 177.2
[M+K]+ 348.973718 160.3
[M+H-H2O]+ 293.007820 159.2
[M+HCOO]- 355.008761 181.6
[M+CH3COO]- 369.024411 175.3
[M+Na-2H]- 330.985226 170.6
[M]+ 310.01001142 179.3
[M]- 310.01110858 179.3
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