CID 57800486

3-(2-bromoethoxy)-5-chloropyridine

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
C1=C(C=NC=C1Cl)OCCBr
InChI
InChI=1S/C7H7BrClNO/c8-1-2-11-7-3-6(9)4-10-5-7/h3-5H,1-2H2
InChIKey
AMVWYTOVXLIRDK-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-5-chloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

234.93996 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 139.4
[M+Na]+ 257.92918 144.5
[M+NH4]+ 252.97378 144.9
[M+K]+ 273.90312 143.1
[M-H]- 233.93268 140.0
[M+Na-2H]- 255.91463 144.1
[M]+ 234.93941 139.4
[M]- 234.94051 139.4
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