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]+ 318.138596 174.7
[M+Na]+ 340.120538 182.2
[M-H]- 316.124044 178.7
[M+NH4]+ 335.165143 191.7
[M+K]+ 356.094478 177.3
[M+H-H2O]+ 300.128580 169.5
[M+HCOO]- 362.129521 188.1
[M+CH3COO]- 376.145171 214.9
[M+Na-2H]- 338.105986 174.1
[M]+ 317.13077142 182.8
[M]- 317.13186858 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.