CID 129318613

2724510-72-7

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 170.4
[M+Na]+ 352.00332 179.4
[M-H]- 328.00682 174.7
[M+NH4]+ 347.04792 185.5
[M+K]+ 367.97726 172.0
[M+H-H2O]+ 312.01136 165.2
[M+HCOO]- 374.01230 179.0
[M+CH3COO]- 388.02795 208.4
[M+Na-2H]- 349.98877 171.5
[M]+ 329.01355 174.0
[M]- 329.01465 174.0
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.