CID 3391372

4-(trifluoromethyl)-n-(2,2,2-trifluoro-1-phenylethyl)benzamide

Structural Information

Molecular Formula
C16H11F6NO
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H11F6NO/c17-15(18,19)12-8-6-11(7-9-12)14(24)23-13(16(20,21)22)10-4-2-1-3-5-10/h1-9,13H,(H,23,24)
InChIKey
CNVSGILXBGTTOV-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0745 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08178 172.9
[M+Na]+ 370.06372 179.9
[M-H]- 346.06722 171.7
[M+NH4]+ 365.10832 185.2
[M+K]+ 386.03766 174.7
[M+H-H2O]+ 330.07176 160.4
[M+HCOO]- 392.07270 186.3
[M+CH3COO]- 406.08835 212.3
[M+Na-2H]- 368.04917 175.0
[M]+ 347.07395 163.5
[M]- 347.07505 163.5
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.