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 176.1
[M+Na]+ 385.96435 185.3
[M-H]- 361.96785 178.8
[M+NH4]+ 381.00895 189.7
[M+K]+ 401.93829 178.0
[M+H-H2O]+ 345.97239 171.6
[M+HCOO]- 407.97333 179.0
[M+CH3COO]- 421.98898 214.6
[M+Na-2H]- 383.94980 175.2
[M]+ 362.97458 179.3
[M]- 362.97568 179.3
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.