CID 3044752

Brn 2398107

Structural Information

Molecular Formula
C19H20Cl2O3
SMILES
CC1=CC(=C(C=C1C)Cl)OCC(=O)COC2=C(C=C(C(=C2)C)C)Cl
InChI
InChI=1S/C19H20Cl2O3/c1-11-5-16(20)18(7-13(11)3)23-9-15(22)10-24-19-8-14(4)12(2)6-17(19)21/h5-8H,9-10H2,1-4H3
InChIKey
YNGZQLJNLCNGOM-UHFFFAOYSA-N
Compound name
1,3-bis(2-chloro-4,5-dimethylphenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.07895 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08623 182.2
[M+Na]+ 389.06817 198.9
[M+NH4]+ 384.11277 190.2
[M+K]+ 405.04211 189.8
[M-H]- 365.07167 186.4
[M+Na-2H]- 387.05362 189.4
[M]+ 366.07840 186.6
[M]- 366.07950 186.6
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.