CID 217839

39719-63-6

Structural Information

Molecular Formula
C19H20Cl2O5
SMILES
CC(C)(C(=O)OCC(COC1=CC=C(C=C1)Cl)O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20Cl2O5/c1-19(2,26-17-9-5-14(21)6-10-17)18(23)25-12-15(22)11-24-16-7-3-13(20)4-8-16/h3-10,15,22H,11-12H2,1-2H3
InChIKey
ILCSJHCBOLBQJQ-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07608 186.0
[M+Na]+ 421.05802 192.8
[M-H]- 397.06152 190.8
[M+NH4]+ 416.10262 197.8
[M+K]+ 437.03196 188.1
[M+H-H2O]+ 381.06606 179.9
[M+HCOO]- 443.06700 195.6
[M+CH3COO]- 457.08265 215.3
[M+Na-2H]- 419.04347 187.6
[M]+ 398.06825 194.3
[M]- 398.06935 194.3
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.