CID 3664161

4-((4-fluorophenoxy)acetyl)-3-hydroxyphenyl acetate

Structural Information

Molecular Formula
C16H13FO5
SMILES
CC(=O)OC1=CC(=C(C=C1)C(=O)COC2=CC=C(C=C2)F)O
InChI
InChI=1S/C16H13FO5/c1-10(18)22-13-6-7-14(15(19)8-13)16(20)9-21-12-4-2-11(17)3-5-12/h2-8,19H,9H2,1H3
InChIKey
KANCGXUNSZDJQV-UHFFFAOYSA-N
Compound name
[4-[2-(4-fluorophenoxy)acetyl]-3-hydroxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0747 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08198 165.1
[M+Na]+ 327.06392 172.8
[M-H]- 303.06742 169.6
[M+NH4]+ 322.10852 179.1
[M+K]+ 343.03786 170.1
[M+H-H2O]+ 287.07196 156.5
[M+HCOO]- 349.07290 185.6
[M+CH3COO]- 363.08855 201.5
[M+Na-2H]- 325.04937 166.6
[M]+ 304.07415 167.6
[M]- 304.07525 167.6
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.