CID 5129306

4-morpholino-2,3,5,6-tetrachloropyridine

Structural Information

Molecular Formula
C9H8Cl4N2O
SMILES
C1COCCN1C2=C(C(=NC(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl4N2O/c10-5-7(15-1-3-16-4-2-15)6(11)9(13)14-8(5)12/h1-4H2
InChIKey
CLAYESCJQCKOCV-UHFFFAOYSA-N
Compound name
4-(2,3,5,6-tetrachloropyridin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.9391 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.94638 158.9
[M+Na]+ 322.92832 167.9
[M-H]- 298.93182 159.3
[M+NH4]+ 317.97292 171.0
[M+K]+ 338.90226 163.6
[M+H-H2O]+ 282.93636 152.1
[M+HCOO]- 344.93730 155.9
[M+CH3COO]- 358.95295 167.9
[M+Na-2H]- 320.91377 160.1
[M]+ 299.93855 158.2
[M]- 299.93965 158.2
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.