CID 204706

Wv 781

Structural Information

Molecular Formula
C16H25Cl2NO
SMILES
CCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCCl
InChI
InChI=1S/C16H25Cl2NO/c1-5-19(7-6-17)8-9-20-16-10-13(4)15(18)11-14(16)12(2)3/h10-12H,5-9H2,1-4H3
InChIKey
NJQCOAXTRUTAFJ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13132 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13860 174.7
[M+Na]+ 340.12054 182.2
[M-H]- 316.12404 178.7
[M+NH4]+ 335.16514 191.7
[M+K]+ 356.09448 177.3
[M+H-H2O]+ 300.12858 169.5
[M+HCOO]- 362.12952 188.1
[M+CH3COO]- 376.14517 214.9
[M+Na-2H]- 338.10599 174.1
[M]+ 317.13077 182.8
[M]- 317.13187 182.8
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.