CID 320996

2,2,2-trifluoro-n-(4-hydroxyphenyl)acetamide

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
C1=CC(=CC=C1NC(=O)C(F)(F)F)O
InChI
InChI=1S/C8H6F3NO2/c9-8(10,11)7(14)12-5-1-3-6(13)4-2-5/h1-4,13H,(H,12,14)
InChIKey
IKQORWCSZJKSFE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

205.03506 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 143.0
[M+Na]+ 228.02428 150.6
[M+NH4]+ 223.06888 147.7
[M+K]+ 243.99822 146.9
[M-H]- 204.02778 139.3
[M+Na-2H]- 226.00973 146.5
[M]+ 205.03451 142.5
[M]- 205.03561 142.5
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