CID 18692061

302325-34-4

Structural Information

Molecular Formula
C20H14F6N2O2
SMILES
C1=CC(=CC(=C1)OC2=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)15-8-11(27)4-6-17(15)29-13-2-1-3-14(10-13)30-18-7-5-12(28)9-16(18)20(24,25)26/h1-10H,27-28H2
InChIKey
PGGDRKNQBAILPU-UHFFFAOYSA-N
Compound name
4-[3-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
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 197.2
[M+Na]+ 451.08517 206.5
[M-H]- 427.08867 199.0
[M+NH4]+ 446.12977 205.9
[M+K]+ 467.05911 199.7
[M+H-H2O]+ 411.09321 182.9
[M+HCOO]- 473.09415 211.9
[M+CH3COO]- 487.10980 230.7
[M+Na-2H]- 449.07062 197.6
[M]+ 428.09540 189.2
[M]- 428.09650 189.2
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