CID 22121279

4-bromo-3-chloro-2,5,6-trifluoropyridine

Structural Information

Molecular Formula
C5BrClF3N
SMILES
C1(=C(C(=C(N=C1F)F)Cl)Br)F
InChI
InChI=1S/C5BrClF3N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
XRQBCXSMTBONCN-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2,5,6-trifluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

244.88547 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.89275 132.3
[M+Na]+ 267.87469 149.1
[M-H]- 243.87819 134.8
[M+NH4]+ 262.91929 153.9
[M+K]+ 283.84863 135.8
[M+H-H2O]+ 227.88273 131.3
[M+HCOO]- 289.88367 147.0
[M+CH3COO]- 303.89932 188.8
[M+Na-2H]- 265.86014 138.9
[M]+ 244.88492 149.8
[M]- 244.88602 149.8
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