CID 90314609

5-bromo-3-fluoropyrazin-2-amine

Structural Information

Molecular Formula
C4H3BrFN3
SMILES
C1=C(N=C(C(=N1)N)F)Br
InChI
InChI=1S/C4H3BrFN3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKey
XVNDUAPTGMDCEX-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoropyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

190.94943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.95671 126.0
[M+Na]+ 213.93865 139.6
[M-H]- 189.94215 128.8
[M+NH4]+ 208.98325 146.5
[M+K]+ 229.91259 128.3
[M+H-H2O]+ 173.94669 124.4
[M+HCOO]- 235.94763 146.5
[M+CH3COO]- 249.96328 181.3
[M+Na-2H]- 211.92410 135.3
[M]+ 190.94888 141.8
[M]- 190.94998 141.8
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