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]+ 260.060346 156.1
[M+Na]+ 282.042288 163.4
[M-H]- 258.045794 160.3
[M+NH4]+ 277.086893 171.4
[M+K]+ 298.016228 158.9
[M+H-H2O]+ 242.050330 149.2
[M+HCOO]- 304.051271 164.9
[M+CH3COO]- 318.066921 167.1
[M+Na-2H]- 280.027736 160.1
[M]+ 259.05252142 156.5
[M]- 259.05361858 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.