CID 22412832

2,5-dibromo-3-fluoropyridine

Structural Information

Molecular Formula
C5H2Br2FN
SMILES
C1=C(C=NC(=C1F)Br)Br
InChI
InChI=1S/C5H2Br2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey
QEENLQKOTDHQEW-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

252.8538 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.861076 126.2
[M+Na]+ 275.843018 139.0
[M-H]- 251.846524 131.6
[M+NH4]+ 270.887623 146.2
[M+K]+ 291.816958 123.9
[M+H-H2O]+ 235.851060 134.2
[M+HCOO]- 297.852001 142.3
[M+CH3COO]- 311.867651 196.6
[M+Na-2H]- 273.828466 135.3
[M]+ 252.85325142 159.2
[M]- 252.85434858 159.2
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

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