CID 59589407

4-(bromomethyl)-3-chloropyridine hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

204.9294 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe