CID 294979

Nsc164133

Structural Information

Molecular Formula
C22H14F6N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H14F6N2O2/c23-21(24,25)15-3-1-5-17(11-15)29-19(31)13-7-9-14(10-8-13)20(32)30-18-6-2-4-16(12-18)22(26,27)28/h1-12H,(H,29,31)(H,30,32)
InChIKey
ZBXOJVFLRRSLAD-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

452.09595 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10323 201.1
[M+Na]+ 475.08517 207.8
[M-H]- 451.08867 203.0
[M+NH4]+ 470.12977 208.6
[M+K]+ 491.05911 201.1
[M+H-H2O]+ 435.09321 186.5
[M+HCOO]- 497.09415 214.9
[M+CH3COO]- 511.10980 233.9
[M+Na-2H]- 473.07062 201.9
[M]+ 452.09540 192.2
[M]- 452.09650 192.2
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.