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 176.3
[M+Na]+ 357.11086 181.8
[M-H]- 333.11436 180.0
[M+NH4]+ 352.15546 188.8
[M+K]+ 373.08480 179.3
[M+H-H2O]+ 317.11890 167.0
[M+HCOO]- 379.11984 195.9
[M+CH3COO]- 393.13549 206.9
[M+Na-2H]- 355.09631 177.4
[M]+ 334.12109 179.7
[M]- 334.12219 179.7
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.