CID 204696

Wv 0010

Structural Information

Molecular Formula
C15H23Cl2NO
SMILES
CC1=CC(=C(C=C1Cl)C(C)C)OCCN(C)CCCl
InChI
InChI=1S/C15H23Cl2NO/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-7-18(4)6-5-16/h9-11H,5-8H2,1-4H3
InChIKey
PMNKOVOEASUTDW-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.11566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12294 170.0
[M+Na]+ 326.10488 177.9
[M-H]- 302.10838 174.2
[M+NH4]+ 321.14948 187.6
[M+K]+ 342.07882 173.3
[M+H-H2O]+ 286.11292 165.0
[M+HCOO]- 348.11386 183.8
[M+CH3COO]- 362.12951 212.0
[M+Na-2H]- 324.09033 170.0
[M]+ 303.11511 177.8
[M]- 303.11621 177.8
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.