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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.