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

159
Patents

206.05547 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.062746 138.8
[M+Na]+ 229.044688 147.0
[M-H]- 205.048194 137.5
[M+NH4]+ 224.089293 157.2
[M+K]+ 245.018628 144.9
[M+H-H2O]+ 189.052730 131.1
[M+HCOO]- 251.053671 156.5
[M+CH3COO]- 265.069321 182.7
[M+Na-2H]- 227.030136 143.5
[M]+ 206.05492142 135.3
[M]- 206.05601858 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