CID 15135082

3,4-dibromo-2-fluoropyridine

Structural Information

Molecular Formula
C5H2Br2FN
SMILES
C1=CN=C(C(=C1Br)Br)F
InChI
InChI=1S/C5H2Br2FN/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey
RALUGCFMNLTFAK-UHFFFAOYSA-N
Compound name
3,4-dibromo-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe