CID 129318613

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

Structural Information

Molecular Formula
C15H14Cl3NO
SMILES
C1=CC(=CC=C1COC(CN)C2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H14Cl3NO/c16-11-3-1-10(2-4-11)9-20-15(8-19)13-6-5-12(17)7-14(13)18/h1-7,15H,8-9,19H2
InChIKey
OKCIIBHHLAAJHP-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0141 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.02138 172.3
[M+Na]+ 352.00332 188.1
[M+NH4]+ 347.04792 181.4
[M+K]+ 367.97726 178.4
[M-H]- 328.00682 177.1
[M+Na-2H]- 349.98877 180.8
[M]+ 329.01355 177.0
[M]- 329.01465 177.0
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.