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

6
Patents

233.97926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98654 139.0
[M+Na]+ 256.96848 151.3
[M-H]- 232.97198 145.9
[M+NH4]+ 252.01308 157.9
[M+K]+ 272.94242 139.8
[M+H-H2O]+ 216.97652 137.9
[M+HCOO]- 278.97746 159.9
[M+CH3COO]- 292.99311 154.2
[M+Na-2H]- 254.95393 149.8
[M]+ 233.97871 157.0
[M]- 233.97981 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