CID 118451624

1820028-72-5

Structural Information

Molecular Formula
C14H11F3O2
SMILES
CCOC1=C(C(=C(C=C1)C2=C(C(=CC=C2)F)O)F)F
InChI
InChI=1S/C14H11F3O2/c1-2-19-11-7-6-8(12(16)13(11)17)9-4-3-5-10(15)14(9)18/h3-7,18H,2H2,1H3
InChIKey
DXHHXUDNVBTEJD-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

268.0711 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07838 154.5
[M+Na]+ 291.06032 165.4
[M-H]- 267.06382 157.2
[M+NH4]+ 286.10492 171.1
[M+K]+ 307.03426 160.5
[M+H-H2O]+ 251.06836 145.1
[M+HCOO]- 313.06930 174.5
[M+CH3COO]- 327.08495 197.5
[M+Na-2H]- 289.04577 156.7
[M]+ 268.07055 153.2
[M]- 268.07165 153.2
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

patents stripe