CID 114855566

{[4-chloro-2-(4-chlorophenoxy)phenyl]methyl}(ethyl)amine

Structural Information

Molecular Formula
C15H15Cl2NO
SMILES
CCNCC1=C(C=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H15Cl2NO/c1-2-18-10-11-3-4-13(17)9-15(11)19-14-7-5-12(16)6-8-14/h3-9,18H,2,10H2,1H3
InChIKey
XVLHGHAOCGPTDU-UHFFFAOYSA-N
Compound name
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.05307 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06035 164.7
[M+Na]+ 318.04229 174.0
[M-H]- 294.04579 170.6
[M+NH4]+ 313.08689 181.4
[M+K]+ 334.01623 167.1
[M+H-H2O]+ 278.05033 158.5
[M+HCOO]- 340.05127 180.2
[M+CH3COO]- 354.06692 203.4
[M+Na-2H]- 316.02774 169.0
[M]+ 295.05252 169.4
[M]- 295.05362 169.4
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.