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]+ 235.947236 135.6
[M+Na]+ 257.929178 148.9
[M-H]- 233.932684 140.7
[M+NH4]+ 252.973783 157.0
[M+K]+ 273.903118 136.9
[M+H-H2O]+ 217.937220 136.2
[M+HCOO]- 279.938161 152.9
[M+CH3COO]- 293.953811 185.3
[M+Na-2H]- 255.914626 145.0
[M]+ 234.93941142 157.4
[M]- 234.94050858 157.4
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