CID 603435

2-(pentafluorophenoxy)ethanol

Structural Information

Molecular Formula
C8H5F5O2
SMILES
C(COC1=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C8H5F5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2
InChIKey
NPVVUYMVRISVGK-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentafluorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

228.02097 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02825 137.3
[M+Na]+ 251.01019 149.4
[M-H]- 227.01369 134.4
[M+NH4]+ 246.05479 155.6
[M+K]+ 266.98413 145.8
[M+H-H2O]+ 211.01823 128.1
[M+HCOO]- 273.01917 155.6
[M+CH3COO]- 287.03482 189.7
[M+Na-2H]- 248.99564 139.1
[M]+ 228.02042 133.7
[M]- 228.02152 133.7
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

patents stripe