CID 4962062

2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine

Structural Information

Molecular Formula
C12H15Cl2NO
SMILES
C1COC(CN1CC2=CC=CC=C2Cl)CCl
InChI
InChI=1S/C12H15Cl2NO/c13-7-11-9-15(5-6-16-11)8-10-3-1-2-4-12(10)14/h1-4,11H,5-9H2
InChIKey
GMRPTPFVUNCUFC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.05307 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06035 156.1
[M+Na]+ 282.04229 163.4
[M-H]- 258.04579 160.3
[M+NH4]+ 277.08689 171.4
[M+K]+ 298.01623 158.9
[M+H-H2O]+ 242.05033 149.2
[M+HCOO]- 304.05127 164.9
[M+CH3COO]- 318.06692 167.1
[M+Na-2H]- 280.02774 160.1
[M]+ 259.05252 156.5
[M]- 259.05362 156.5
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.