CID 419778

2247-78-1

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]+ 330.09118 177.7
[M+Na]+ 352.07312 184.4
[M+NH4]+ 347.11772 180.6
[M+K]+ 368.04706 179.4
[M-H]- 328.07662 173.9
[M+Na-2H]- 350.05857 181.0
[M]+ 329.08335 177.3
[M]- 329.08445 177.3
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.