CID 572282

2,2,2-trifluoro-n-[2-(4-hydroxyphenyl)ethyl]acetamide

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1=CC(=CC=C1CCNC(=O)C(F)(F)F)O
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)9(16)14-6-5-7-1-3-8(15)4-2-7/h1-4,15H,5-6H2,(H,14,16)
InChIKey
FKORNNKNNHEZAR-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

233.06636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 146.4
[M+Na]+ 256.05558 153.7
[M-H]- 232.05908 144.9
[M+NH4]+ 251.10018 163.3
[M+K]+ 272.02952 150.6
[M+H-H2O]+ 216.06362 138.2
[M+HCOO]- 278.06456 165.1
[M+CH3COO]- 292.08021 189.0
[M+Na-2H]- 254.04103 150.8
[M]+ 233.06581 141.7
[M]- 233.06691 141.7
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