CID 80035148

1567899-39-1

Structural Information

Molecular Formula
C9H8F4O
SMILES
C[C@@H](C1=C(C(=CC=C1)C(F)(F)F)F)O
InChI
InChI=1S/C9H8F4O/c1-5(14)6-3-2-4-7(8(6)10)9(11,12)13/h2-5,14H,1H3/t5-/m0/s1
InChIKey
YIDJOYSEVWVENZ-YFKPBYRVSA-N
Compound name
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.05113 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05841 150.7
[M+Na]+ 231.04035 158.6
[M+NH4]+ 226.08495 155.3
[M+K]+ 247.01429 154.0
[M-H]- 207.04385 146.2
[M+Na-2H]- 229.02580 153.3
[M]+ 208.05058 150.2
[M]- 208.05168 150.2
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