CID 3050965

67205-60-1

Structural Information

Molecular Formula
C15H15Cl4NO2
SMILES
CCCCC(CC)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl
InChI
InChI=1S/C15H15Cl4NO2/c1-3-5-6-8(4-2)15(21)22-14-12(18)10(16)9(7-20)11(17)13(14)19/h8H,3-6H2,1-2H3
InChIKey
SOSVWGVOLPLCIV-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrachloro-4-cyanophenyl) 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.9857 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.99298 170.0
[M+Na]+ 403.97492 182.8
[M+NH4]+ 399.01952 174.0
[M+K]+ 419.94886 173.0
[M-H]- 379.97842 164.5
[M+Na-2H]- 401.96037 172.1
[M]+ 380.98515 170.6
[M]- 380.98625 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.