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

457
Patents

189.9542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96148 127.4
[M+Na]+ 212.94342 140.6
[M-H]- 188.94692 131.4
[M+NH4]+ 207.98802 149.2
[M+K]+ 228.91736 129.2
[M+H-H2O]+ 172.95146 126.4
[M+HCOO]- 234.95240 148.8
[M+CH3COO]- 248.96805 181.6
[M+Na-2H]- 210.92887 136.0
[M]+ 189.95365 143.0
[M]- 189.95475 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