CID 37859478

5-bromo-2-chloro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2BrClF3N
SMILES
C1=C(C(=CN=C1Cl)Br)C(F)(F)F
InChI
InChI=1S/C6H2BrClF3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H
InChIKey
SYBSBIJPNQAETE-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

258.90112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.90840 139.8
[M+Na]+ 281.89034 155.0
[M-H]- 257.89384 141.9
[M+NH4]+ 276.93494 160.5
[M+K]+ 297.86428 141.7
[M+H-H2O]+ 241.89838 138.7
[M+HCOO]- 303.89932 152.7
[M+CH3COO]- 317.91497 189.1
[M+Na-2H]- 279.87579 147.6
[M]+ 258.90057 156.4
[M]- 258.90167 156.4
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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