CID 16126434

2-amino-3-bromo-5-fluoropyridine

Structural Information

Molecular Formula
C5H4BrFN2
SMILES
C1=C(C=NC(=C1Br)N)F
InChI
InChI=1S/C5H4BrFN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
KXSQMCRVUAALNE-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

432
Patents

189.9542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.961476 127.4
[M+Na]+ 212.943418 140.6
[M-H]- 188.946924 131.4
[M+NH4]+ 207.988023 149.2
[M+K]+ 228.917358 129.2
[M+H-H2O]+ 172.951460 126.4
[M+HCOO]- 234.952401 148.8
[M+CH3COO]- 248.968051 181.6
[M+Na-2H]- 210.928866 136.0
[M]+ 189.95365142 143.0
[M]- 189.95474858 143.0
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