CID 2776646

3-(1,1,2,2-tetrafluoroethoxy)phenol

Structural Information

Molecular Formula
C8H6F4O2
SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)O
InChI
InChI=1S/C8H6F4O2/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7,13H
InChIKey
DEXGNBYVIMYKJB-UHFFFAOYSA-N
Compound name
3-(1,1,2,2-tetrafluoroethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

210.0304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.037676 136.6
[M+Na]+ 233.019618 145.3
[M-H]- 209.023124 134.0
[M+NH4]+ 228.064223 154.6
[M+K]+ 248.993558 142.9
[M+H-H2O]+ 193.027660 128.1
[M+HCOO]- 255.028601 153.6
[M+CH3COO]- 269.044251 183.2
[M+Na-2H]- 231.005066 141.2
[M]+ 210.02985142 131.6
[M]- 210.03094858 131.6
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

patents stripe