CID 90420290

4-bromo-3-fluoropyridin-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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

No literature data available for this compound.

Patent stripe

patents stripe