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]+ 330.09118 170.1
[M+Na]+ 352.07312 178.2
[M-H]- 328.07662 170.6
[M+NH4]+ 347.11772 183.6
[M+K]+ 368.04706 172.9
[M+H-H2O]+ 312.08116 158.7
[M+HCOO]- 374.08210 185.6
[M+CH3COO]- 388.09775 210.5
[M+Na-2H]- 350.05857 173.3
[M]+ 329.08335 163.0
[M]- 329.08445 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.