CID 71699985

3-bromo-5-chloro-2-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
C1=C(C=NC(=C1Br)CCl)Cl
InChI
InChI=1S/C6H4BrCl2N/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,2H2
InChIKey
OQXXOPQFDWXJOG-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-2-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.89043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.89771 132.2
[M+Na]+ 261.87965 147.3
[M-H]- 237.88315 137.1
[M+NH4]+ 256.92425 154.1
[M+K]+ 277.85359 133.7
[M+H-H2O]+ 221.88769 133.9
[M+HCOO]- 283.88863 144.7
[M+CH3COO]- 297.90428 186.2
[M+Na-2H]- 259.86510 140.9
[M]+ 238.88988 153.2
[M]- 238.89098 153.2
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