CID 217838

3-(4-chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate

Structural Information

Molecular Formula
C19H21ClO5
SMILES
CC(C)(C(=O)OCC(COC1=CC=C(C=C1)Cl)O)OC2=CC=CC=C2
InChI
InChI=1S/C19H21ClO5/c1-19(2,25-17-6-4-3-5-7-17)18(22)24-13-15(21)12-23-16-10-8-14(20)9-11-16/h3-11,15,21H,12-13H2,1-2H3
InChIKey
KKFZITWOIDJVIN-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-methyl-2-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10776 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11504 182.6
[M+Na]+ 387.09698 188.0
[M-H]- 363.10048 187.5
[M+NH4]+ 382.14158 194.8
[M+K]+ 403.07092 184.4
[M+H-H2O]+ 347.10502 175.4
[M+HCOO]- 409.10596 197.0
[M+CH3COO]- 423.12161 210.0
[M+Na-2H]- 385.08243 185.2
[M]+ 364.10721 189.0
[M]- 364.10831 189.0
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.