CID 28561917

[3-(2,2,2-trifluoroethoxy)phenyl]methanol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
C1=CC(=CC(=C1)OCC(F)(F)F)CO
InChI
InChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13/h1-4,13H,5-6H2
InChIKey
VIVCPZPHCLORGC-UHFFFAOYSA-N
Compound name
[3-(2,2,2-trifluoroethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.05547 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 138.9
[M+Na]+ 229.04469 147.4
[M-H]- 205.04819 137.5
[M+NH4]+ 224.08929 157.4
[M+K]+ 245.01863 144.8
[M+H-H2O]+ 189.05273 131.2
[M+HCOO]- 251.05367 157.7
[M+CH3COO]- 265.06932 181.8
[M+Na-2H]- 227.03014 144.8
[M]+ 206.05492 136.1
[M]- 206.05602 136.1
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