CID 89315286

5-(1-bromoethyl)-2-chloropyridine

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC(C1=CN=C(C=C1)Cl)Br
InChI
InChI=1S/C7H7BrClN/c1-5(8)6-2-3-7(9)10-4-6/h2-5H,1H3
InChIKey
LRUAICUSKXAQPP-UHFFFAOYSA-N
Compound name
5-(1-bromoethyl)-2-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

218.94504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 134.9
[M+Na]+ 241.93426 140.2
[M+NH4]+ 236.97886 140.8
[M+K]+ 257.90820 139.1
[M-H]- 217.93776 135.8
[M+Na-2H]- 239.91971 139.8
[M]+ 218.94449 135.1
[M]- 218.94559 135.1
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