CID 10488609

3-bromo-5-chloropyrazin-2-amine

Structural Information

Molecular Formula
C4H3BrClN3
SMILES
C1=C(N=C(C(=N1)N)Br)Cl
InChI
InChI=1S/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKey
ACFBUXHJONGLLF-UHFFFAOYSA-N
Compound name
3-bromo-5-chloropyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

206.91989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.927166 127.0
[M+Na]+ 229.909108 141.4
[M-H]- 205.912614 130.9
[M+NH4]+ 224.953713 147.7
[M+K]+ 245.883048 128.8
[M+H-H2O]+ 189.917150 126.9
[M+HCOO]- 251.918091 144.1
[M+CH3COO]- 265.933741 182.4
[M+Na-2H]- 227.894556 136.6
[M]+ 206.91934142 145.5
[M]- 206.92043858 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe