CID 101732427

710323-81-2

Structural Information

Molecular Formula
C26H18F6N2O2
SMILES
C1=CC=C(C(=C1)C2=CC=CC=C2OC3=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)19-13-15(33)9-11-23(19)35-21-7-3-1-5-17(21)18-6-2-4-8-22(18)36-24-12-10-16(34)14-20(24)26(30,31)32/h1-14H,33-34H2
InChIKey
VETKABGDXXVERL-UHFFFAOYSA-N
Compound name
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 220.5
[M+Na]+ 527.11648 229.1
[M-H]- 503.11998 224.9
[M+NH4]+ 522.16108 225.6
[M+K]+ 543.09042 220.8
[M+H-H2O]+ 487.12452 204.1
[M+HCOO]- 549.12546 234.0
[M+CH3COO]- 563.14111 245.3
[M+Na-2H]- 525.10193 219.4
[M]+ 504.12671 212.5
[M]- 504.12781 212.5
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