CID 44620892

1355026-47-9

Structural Information

Molecular Formula
C13H9Br2Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br
InChI
InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
InChIKey
KMGUBUXDNOMSRM-UHFFFAOYSA-N
Compound name
2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.8377 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.84498 161.7
[M+Na]+ 461.82692 174.9
[M-H]- 437.83042 169.6
[M+NH4]+ 456.87152 177.0
[M+K]+ 477.80086 157.5
[M+H-H2O]+ 421.83496 169.7
[M+HCOO]- 483.83590 170.0
[M+CH3COO]- 497.85155 220.0
[M+Na-2H]- 459.81237 167.6
[M]+ 438.83715 200.4
[M]- 438.83825 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.