CID 137965

4-bromo-2,3,5,6-tetrafluoropyridine

Structural Information

Molecular Formula
C5BrF4N
SMILES
C1(=C(C(=C(N=C1F)F)F)Br)F
InChI
InChI=1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
YZCGGIUJABHGRQ-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrafluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

228.91502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.92230 132.9
[M+Na]+ 251.90424 148.7
[M-H]- 227.90774 134.3
[M+NH4]+ 246.94884 154.0
[M+K]+ 267.87818 136.9
[M+H-H2O]+ 211.91228 130.2
[M+HCOO]- 273.91322 150.8
[M+CH3COO]- 287.92887 187.9
[M+Na-2H]- 249.88969 138.9
[M]+ 228.91447 147.3
[M]- 228.91557 147.3
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

patents stripe