CID 44150154

104133-06-4

Structural Information

Molecular Formula
C18H27ClO7
SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C18H27ClO7/c1-14-13-16(19)3-4-17(14)26-15(2)18(21)25-12-11-24-10-9-23-8-7-22-6-5-20/h3-4,13,15,20H,5-12H2,1-2H3
InChIKey
WFXVBQAUQXUNLT-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(4-chloro-2-methylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.14453 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15181 187.7
[M+Na]+ 413.13375 192.5
[M-H]- 389.13725 189.0
[M+NH4]+ 408.17835 199.4
[M+K]+ 429.10769 190.4
[M+H-H2O]+ 373.14179 180.8
[M+HCOO]- 435.14273 203.1
[M+CH3COO]- 449.15838 216.0
[M+Na-2H]- 411.11920 187.1
[M]+ 390.14398 200.0
[M]- 390.14508 200.0
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.