CID 19805071

94525-05-0

Structural Information

Molecular Formula
C20H14F6N2O2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)N)C(F)(F)F)OC3=C(C=C(C=C3)N)C(F)(F)F
InChI
InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
InChIKey
LACZRKUWKHQVKS-UHFFFAOYSA-N
Compound name
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2007
Patents

428.09595 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.10323 193.5
[M+Na]+ 451.08517 199.4
[M+NH4]+ 446.12977 195.1
[M+K]+ 467.05911 194.8
[M-H]- 427.08867 190.5
[M+Na-2H]- 449.07062 196.4
[M]+ 428.09540 193.2
[M]- 428.09650 193.2
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