CID 13302

Brn 2660865

Structural Information

Molecular Formula
C15H12F3NO
SMILES
CC(=O)N(C1=CC=CC=C1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO/c1-11(20)19(13-7-3-2-4-8-13)14-9-5-6-12(10-14)15(16,17)18/h2-10H,1H3
InChIKey
AIEQQLHWKYTELX-UHFFFAOYSA-N
Compound name
N-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0871 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09438 159.7
[M+Na]+ 302.07632 166.8
[M-H]- 278.07982 163.8
[M+NH4]+ 297.12092 175.6
[M+K]+ 318.05026 163.5
[M+H-H2O]+ 262.08436 149.4
[M+HCOO]- 324.08530 179.8
[M+CH3COO]- 338.10095 203.7
[M+Na-2H]- 300.06177 163.7
[M]+ 279.08655 156.1
[M]- 279.08765 156.1
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.