CID 28731

17753-06-9

Structural Information

Molecular Formula
C18H19ClO5
SMILES
CC1=CC=CC=C1OCC(COC(=O)COC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H19ClO5/c1-13-4-2-3-5-17(13)23-10-15(20)11-24-18(21)12-22-16-8-6-14(19)7-9-16/h2-9,15,20H,10-12H2,1H3
InChIKey
QQVJDLLOSTURMS-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0921 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09938 178.0
[M+Na]+ 373.08132 184.4
[M-H]- 349.08482 183.1
[M+NH4]+ 368.12592 191.0
[M+K]+ 389.05526 180.5
[M+H-H2O]+ 333.08936 170.6
[M+HCOO]- 395.09030 194.3
[M+CH3COO]- 409.10595 207.9
[M+Na-2H]- 371.06677 179.4
[M]+ 350.09155 184.9
[M]- 350.09265 184.9
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.