CID 612623

Pjkwipsjfapzby-uhfffaoysa-n

Structural Information

Molecular Formula
C16H12F6N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=CC2=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H12F6N2O2/c17-15(18,19)10-2-1-3-12(8-10)23-13(25)6-7-24-9-11(16(20,21)22)4-5-14(24)26/h1-5,8-9H,6-7H2,(H,23,25)
InChIKey
PJKWIPSJFAPZBY-UHFFFAOYSA-N
Compound name
3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.0803 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.087576 180.8
[M+Na]+ 401.069518 190.0
[M-H]- 377.073024 178.9
[M+NH4]+ 396.114123 191.1
[M+K]+ 417.043458 184.1
[M+H-H2O]+ 361.077560 167.5
[M+HCOO]- 423.078501 194.2
[M+CH3COO]- 437.094151 217.7
[M+Na-2H]- 399.054966 182.9
[M]+ 378.07975142 174.0
[M]- 378.08084858 174.0
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.