CID 104274132

5-bromo-2-(2-chloroethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C7H7BrClN
SMILES
C1=CC(=NC=C1Br)CCCl
InChI
InChI=1S/C7H7BrClN/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3-4H2
InChIKey
TUZIYVGPLNXELY-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.94504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 133.0
[M+Na]+ 241.93426 146.4
[M-H]- 217.93776 138.1
[M+NH4]+ 236.97886 155.0
[M+K]+ 257.90820 133.9
[M+H-H2O]+ 201.94230 133.9
[M+HCOO]- 263.94324 150.1
[M+CH3COO]- 277.95889 183.5
[M+Na-2H]- 239.91971 142.5
[M]+ 218.94449 153.5
[M]- 218.94559 153.5
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

No patent data available for this compound.