CID 6424661

5-(bromomethyl)-2-chloropyridine

Structural Information

Molecular Formula
C6H5BrClN
SMILES
C1=CC(=NC=C1CBr)Cl
InChI
InChI=1S/C6H5BrClN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
InChIKey
YJOULMMJZAADRY-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
Patents

204.9294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.93668 128.3
[M+Na]+ 227.91862 142.1
[M-H]- 203.92212 133.6
[M+NH4]+ 222.96322 150.9
[M+K]+ 243.89256 129.9
[M+H-H2O]+ 187.92666 129.4
[M+HCOO]- 249.92760 145.8
[M+CH3COO]- 263.94325 180.7
[M+Na-2H]- 225.90407 138.3
[M]+ 204.92885 148.5
[M]- 204.92995 148.5
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

patents stripe