CID 118295567

2-bromo-3-fluoropyridin-4-amine

Structural Information

Molecular Formula
C5H4BrFN2
SMILES
C1=CN=C(C(=C1N)F)Br
InChI
InChI=1S/C5H4BrFN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
InChIKey
NVWMJIBOKZSFIU-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe