CID 46937163

2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol

Structural Information

Molecular Formula
C14H11F3O2
SMILES
C1=CC=C(C(=C1)C2=C(C(=C(C=C2)F)F)F)OCCO
InChI
InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2
InChIKey
AGXPXFPIOHNDAN-UHFFFAOYSA-N
Compound name
2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.0711 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07838 154.8
[M+Na]+ 291.06032 164.8
[M-H]- 267.06382 157.0
[M+NH4]+ 286.10492 171.0
[M+K]+ 307.03426 159.8
[M+H-H2O]+ 251.06836 145.2
[M+HCOO]- 313.06930 174.9
[M+CH3COO]- 327.08495 196.3
[M+Na-2H]- 289.04577 157.7
[M]+ 268.07055 153.1
[M]- 268.07165 153.1
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