CID 886400

1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone

Structural Information

Molecular Formula
C14H11FO4
SMILES
C1=CC=C(C(=C1)OCC(=O)C2=C(C=C(C=C2)O)O)F
InChI
InChI=1S/C14H11FO4/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7,16-17H,8H2
InChIKey
XHSAFGAQMLTOBV-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

262.06415 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07143 154.5
[M+Na]+ 285.05337 162.8
[M-H]- 261.05687 157.9
[M+NH4]+ 280.09797 169.8
[M+K]+ 301.02731 159.0
[M+H-H2O]+ 245.06141 146.7
[M+HCOO]- 307.06235 174.8
[M+CH3COO]- 321.07800 191.5
[M+Na-2H]- 283.03882 157.8
[M]+ 262.06360 154.4
[M]- 262.06470 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe