CID 244560

2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
COC1=CC=C(C=C1)C(C(F)(F)F)O
InChI
InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3
InChIKey
MCAYQVHHKRKRLD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

172
Patents

206.05547 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe