CID 478245

402-21-1

Structural Information

Molecular Formula
C17H12F6N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H12F6N2O2/c18-16(19,20)10-3-1-5-12(7-10)24-14(26)9-15(27)25-13-6-2-4-11(8-13)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKey
PLYOBKOGKORFMB-UHFFFAOYSA-N
Compound name
N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

390.0803 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08758 183.2
[M+Na]+ 413.06952 190.0
[M-H]- 389.07302 182.1
[M+NH4]+ 408.11412 193.6
[M+K]+ 429.04346 184.8
[M+H-H2O]+ 373.07756 170.3
[M+HCOO]- 435.07850 197.7
[M+CH3COO]- 449.09415 222.0
[M+Na-2H]- 411.05497 184.8
[M]+ 390.07975 174.5
[M]- 390.08085 174.5
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

patents stripe