CID 3760500

N-(2,2,2-trifluoro-1-phenylethyl)benzamide

Structural Information

Molecular Formula
C15H12F3NO
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12F3NO/c16-15(17,18)13(11-7-3-1-4-8-11)19-14(20)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKey
PYRJVJALTKFQSV-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoro-1-phenylethyl)benzamide
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 159.9
[M+Na]+ 302.07632 165.7
[M-H]- 278.07982 162.2
[M+NH4]+ 297.12092 174.8
[M+K]+ 318.05026 161.4
[M+H-H2O]+ 262.08436 149.8
[M+HCOO]- 324.08530 178.6
[M+CH3COO]- 338.10095 200.0
[M+Na-2H]- 300.06177 164.2
[M]+ 279.08655 154.1
[M]- 279.08765 154.1
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

patents stripe