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

9
Patents

252.8538 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.86108 126.2
[M+Na]+ 275.84302 139.0
[M-H]- 251.84652 131.6
[M+NH4]+ 270.88762 146.2
[M+K]+ 291.81696 123.9
[M+H-H2O]+ 235.85106 134.2
[M+HCOO]- 297.85200 142.3
[M+CH3COO]- 311.86765 196.6
[M+Na-2H]- 273.82847 135.3
[M]+ 252.85325 159.2
[M]- 252.85435 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