CID 710452

3-methyl-n-[2-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C15H12F3NO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C15H12F3NO/c1-10-5-4-6-11(9-10)14(20)19-13-8-3-2-7-12(13)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey
HDSPRFRPQITGTO-UHFFFAOYSA-N
Compound name
3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.0871 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09438 159.8
[M+Na]+ 302.07632 167.8
[M-H]- 278.07982 162.9
[M+NH4]+ 297.12092 175.5
[M+K]+ 318.05026 163.1
[M+H-H2O]+ 262.08436 150.0
[M+HCOO]- 324.08530 179.5
[M+CH3COO]- 338.10095 201.4
[M+Na-2H]- 300.06177 163.9
[M]+ 279.08655 155.4
[M]- 279.08765 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.