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

215
Patents

210.0304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03768 136.6
[M+Na]+ 233.01962 145.3
[M-H]- 209.02312 134.0
[M+NH4]+ 228.06422 154.6
[M+K]+ 248.99356 142.9
[M+H-H2O]+ 193.02766 128.1
[M+HCOO]- 255.02860 153.6
[M+CH3COO]- 269.04425 183.2
[M+Na-2H]- 231.00507 141.2
[M]+ 210.02985 131.6
[M]- 210.03095 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