CID 26597264

1821843-86-0

Structural Information

Molecular Formula
C9H9F3O2
SMILES
C[C@H](C1=CC=CC=C1OC(F)(F)F)O
InChI
InChI=1S/C9H9F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6,13H,1H3/t6-/m1/s1
InChIKey
LWOXLMRGAQEYMM-ZCFIWIBFSA-N
Compound name
(1R)-1-[2-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.05547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 138.8
[M+Na]+ 229.04469 147.0
[M-H]- 205.04819 137.5
[M+NH4]+ 224.08929 157.2
[M+K]+ 245.01863 144.9
[M+H-H2O]+ 189.05273 131.1
[M+HCOO]- 251.05367 156.5
[M+CH3COO]- 265.06932 182.7
[M+Na-2H]- 227.03014 143.5
[M]+ 206.05492 135.3
[M]- 206.05602 135.3
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

No patent data available for this compound.