CID 19805072

138321-99-0

Structural Information

Molecular Formula
C26H18F6N2O2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OC3=C(C=C(C=C3)N)C(F)(F)F)OC4=C(C=C(C=C4)N)C(F)(F)F
InChI
InChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2
InChIKey
IWFSADBGACLBMH-UHFFFAOYSA-N
Compound name
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1608
Patents

504.12726 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.13454 208.4
[M+Na]+ 527.11648 215.4
[M+NH4]+ 522.16108 210.0
[M+K]+ 543.09042 209.7
[M-H]- 503.11998 207.2
[M+Na-2H]- 525.10193 212.6
[M]+ 504.12671 208.8
[M]- 504.12781 208.8
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

patents stripe