CID 44602648

658066-16-1

Structural Information

Molecular Formula
C16H12F6N2O
SMILES
C1=CC=C(C(=C1)C(=O)NCCC2=NC=C(C=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H12F6N2O/c17-15(18,19)10-5-6-11(24-9-10)7-8-23-14(25)12-3-1-2-4-13(12)16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
InChIKey
PQVYQOJTCQJZNU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)pyridin-2-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09268 178.3
[M+Na]+ 385.07462 186.4
[M-H]- 361.07812 176.0
[M+NH4]+ 380.11922 189.0
[M+K]+ 401.04856 180.4
[M+H-H2O]+ 345.08266 164.8
[M+HCOO]- 407.08360 191.3
[M+CH3COO]- 421.09925 215.2
[M+Na-2H]- 383.06007 180.9
[M]+ 362.08485 170.3
[M]- 362.08595 170.3
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.