CID 170917567

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

Structural Information

Molecular Formula
C7H6BrCl2N
SMILES
C1=C(C(=CN=C1Cl)Br)CCCl
InChI
InChI=1S/C7H6BrCl2N/c8-6-4-11-7(10)3-5(6)1-2-9/h3-4H,1-2H2
InChIKey
ZVDCRLJGJXCDHH-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.90607 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.913346 136.8
[M+Na]+ 275.895288 151.6
[M-H]- 251.898794 141.6
[M+NH4]+ 270.939893 158.2
[M+K]+ 291.869228 137.7
[M+H-H2O]+ 235.903330 138.3
[M+HCOO]- 297.904271 149.0
[M+CH3COO]- 311.919921 189.0
[M+Na-2H]- 273.880736 145.0
[M]+ 252.90552142 158.2
[M]- 252.90661858 158.2
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

No patent data available for this compound.