CID 2761164

2-trifluoroacetylphenol

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=CC=C(C(=C1)C(=O)C(F)(F)F)O
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H
InChIKey
HZRXGWSUNPYCQM-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

190.02417 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 132.5
[M+Na]+ 213.01339 141.5
[M-H]- 189.01689 131.4
[M+NH4]+ 208.05799 151.5
[M+K]+ 228.98733 139.0
[M+H-H2O]+ 173.02143 125.2
[M+HCOO]- 235.02237 150.8
[M+CH3COO]- 249.03802 178.7
[M+Na-2H]- 210.99884 137.8
[M]+ 190.02362 128.0
[M]- 190.02472 128.0
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