CID 22227766

4-(bromomethyl)-3,5-dichloropyridine

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
C1=C(C(=C(C=N1)Cl)CBr)Cl
InChI
InChI=1S/C6H4BrCl2N/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2
InChIKey
VCZXDAITEVEASR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-3,5-dichloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

238.89043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.89771 137.9
[M+Na]+ 261.87965 144.5
[M+NH4]+ 256.92425 144.1
[M+K]+ 277.85359 142.3
[M-H]- 237.88315 138.9
[M+Na-2H]- 259.86510 143.0
[M]+ 238.88988 138.6
[M]- 238.89098 138.6
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