CID 419778

N-(1,1-bis-(4-fluorophenyl)-2,2,2-trifluoroethyl)-acetamide

Structural Information

Molecular Formula
C16H12F5NO
SMILES
CC(=O)NC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C16H12F5NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)
InChIKey
LOOCAEGGZALYLF-UHFFFAOYSA-N
Compound name
N-[2,2,2-trifluoro-1,1-bis(4-fluorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0839 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.091176 170.1
[M+Na]+ 352.073118 178.2
[M-H]- 328.076624 170.6
[M+NH4]+ 347.117723 183.6
[M+K]+ 368.047058 172.9
[M+H-H2O]+ 312.081160 158.7
[M+HCOO]- 374.082101 185.6
[M+CH3COO]- 388.097751 210.5
[M+Na-2H]- 350.058566 173.3
[M]+ 329.08335142 163.0
[M]- 329.08444858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.