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

22
Patents

310.01056 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01784 161.7
[M+Na]+ 332.99978 173.2
[M-H]- 309.00328 171.1
[M+NH4]+ 328.04438 177.2
[M+K]+ 348.97372 160.3
[M+H-H2O]+ 293.00782 159.2
[M+HCOO]- 355.00876 181.6
[M+CH3COO]- 369.02441 175.3
[M+Na-2H]- 330.98523 170.6
[M]+ 310.01001 179.3
[M]- 310.01111 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