CID 59693917

5-bromo-3-chloro-n-methylpyrazin-2-amine

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
CNC1=NC=C(N=C1Cl)Br
InChI
InChI=1S/C5H5BrClN3/c1-8-5-4(7)10-3(6)2-9-5/h2H,1H3,(H,8,9)
InChIKey
OYYICYQKDTWZQI-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-N-methylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

220.93555 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94283 130.7
[M+Na]+ 243.92477 144.8
[M-H]- 219.92827 134.9
[M+NH4]+ 238.96937 151.2
[M+K]+ 259.89871 132.2
[M+H-H2O]+ 203.93281 130.4
[M+HCOO]- 265.93375 148.1
[M+CH3COO]- 279.94940 185.9
[M+Na-2H]- 241.91022 140.8
[M]+ 220.93500 150.5
[M]- 220.93610 150.5
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