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 180.0
[M+Na]+ 389.06817 190.9
[M-H]- 365.07167 186.8
[M+NH4]+ 384.11277 194.9
[M+K]+ 405.04211 184.8
[M+H-H2O]+ 349.07621 174.1
[M+HCOO]- 411.07715 192.9
[M+CH3COO]- 425.09280 217.9
[M+Na-2H]- 387.05362 179.0
[M]+ 366.07840 189.7
[M]- 366.07950 189.7
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.