CID 155374

70393-83-8

Structural Information

Molecular Formula
C22H14F6N2O2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H14F6N2O2/c23-21(24,25)13-5-3-7-15(11-13)29-19(31)17-9-1-2-10-18(17)20(32)30-16-8-4-6-14(12-16)22(26,27)28/h1-12H,(H,29,31)(H,30,32)
InChIKey
VHCGMQPSQUQCQL-UHFFFAOYSA-N
Compound name
1-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.09595 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.103226 201.1
[M+Na]+ 475.085168 207.8
[M-H]- 451.088674 203.0
[M+NH4]+ 470.129773 208.6
[M+K]+ 491.059108 201.1
[M+H-H2O]+ 435.093210 186.5
[M+HCOO]- 497.094151 214.9
[M+CH3COO]- 511.109801 233.9
[M+Na-2H]- 473.070616 201.9
[M]+ 452.09540142 192.2
[M]- 452.09649858 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.