CID 11118004

2-bromo-3-phenylpyrazine

Structural Information

Molecular Formula
C10H7BrN2
SMILES
C1=CC=C(C=C1)C2=NC=CN=C2Br
InChI
InChI=1S/C10H7BrN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
LYLYXRRWHBFUJU-UHFFFAOYSA-N
Compound name
2-bromo-3-phenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

233.97926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.986536 139.0
[M+Na]+ 256.968478 151.3
[M-H]- 232.971984 145.9
[M+NH4]+ 252.013083 157.9
[M+K]+ 272.942418 139.8
[M+H-H2O]+ 216.976520 137.9
[M+HCOO]- 278.977461 159.9
[M+CH3COO]- 292.993111 154.2
[M+Na-2H]- 254.953926 149.8
[M]+ 233.97871142 157.0
[M]- 233.97980858 157.0
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