CID 13358023

3-(pentafluoroethyl)phenol

Structural Information

Molecular Formula
C8H5F5O
SMILES
C1=CC(=CC(=C1)O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H5F5O/c9-7(10,8(11,12)13)5-2-1-3-6(14)4-5/h1-4,14H
InChIKey
YLUOMFUMEQTVHT-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,2-pentafluoroethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

212.02606 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03334 136.4
[M+Na]+ 235.01528 145.9
[M-H]- 211.01878 132.8
[M+NH4]+ 230.05988 154.5
[M+K]+ 250.98922 142.6
[M+H-H2O]+ 195.02332 127.7
[M+HCOO]- 257.02426 151.5
[M+CH3COO]- 271.03991 183.1
[M+Na-2H]- 233.00073 142.4
[M]+ 212.02551 128.6
[M]- 212.02661 128.6
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