CID 320996

N-(4-hydroxyphenyl)trifluoroacetamide

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

89
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 137.0
[M+Na]+ 228.02428 145.1
[M-H]- 204.02778 135.8
[M+NH4]+ 223.06888 155.0
[M+K]+ 243.99822 142.5
[M+H-H2O]+ 188.03232 129.2
[M+HCOO]- 250.03326 156.3
[M+CH3COO]- 264.04891 182.9
[M+Na-2H]- 226.00973 142.5
[M]+ 205.03451 131.6
[M]- 205.03561 131.6
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