CID 28732

17753-07-0

Structural Information

Molecular Formula
C18H19FO5
SMILES
CC1=CC=CC=C1OCC(COC(=O)COC2=CC=C(C=C2)F)O
InChI
InChI=1S/C18H19FO5/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
QTNBBHNCRGDBQA-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-(4-fluorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12164 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12892 178.2
[M+Na]+ 357.11086 189.4
[M+NH4]+ 352.15546 183.5
[M+K]+ 373.08480 183.6
[M-H]- 333.11436 179.0
[M+Na-2H]- 355.09631 183.8
[M]+ 334.12109 179.8
[M]- 334.12219 179.8
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.