CID 21698021

2-bromo-4-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H5BrClN
SMILES
C1=CN=C(C=C1CCl)Br
InChI
InChI=1S/C6H5BrClN/c7-6-3-5(4-8)1-2-9-6/h1-3H,4H2
InChIKey
WRCMVKYFKWKRIG-UHFFFAOYSA-N
Compound name
2-bromo-4-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

204.9294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.93668 131.5
[M+Na]+ 227.91862 137.3
[M+NH4]+ 222.96322 137.7
[M+K]+ 243.89256 135.7
[M-H]- 203.92212 132.6
[M+Na-2H]- 225.90407 137.0
[M]+ 204.92885 131.8
[M]- 204.92995 131.8
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