CID 74892487

(2rs)-2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethanamine nitrate

Structural Information

Molecular Formula
C15H13Cl4NO
SMILES
C1=CC(=C(C(=C1)Cl)COC(CN)C2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H13Cl4NO/c16-9-4-5-10(14(19)6-9)15(7-20)21-8-11-12(17)2-1-3-13(11)18/h1-6,15H,7-8,20H2
InChIKey
YEFWMFSHHWNWBA-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.97513 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.98241 180.2
[M+Na]+ 385.96435 195.9
[M+NH4]+ 381.00895 188.8
[M+K]+ 401.93829 185.9
[M-H]- 361.96785 184.3
[M+Na-2H]- 383.94980 187.6
[M]+ 362.97458 184.9
[M]- 362.97568 184.9
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

No patent data available for this compound.