CID 104832159

1920808-06-5

Structural Information

Molecular Formula
C12H8F4N2O
SMILES
C1=CC(=C(C(=C1)F)OC2=NC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C12H8F4N2O/c13-8-2-1-3-9(17)11(8)19-10-5-4-7(6-18-10)12(14,15)16/h1-6H,17H2
InChIKey
CDPRDBNBBRSETI-UHFFFAOYSA-N
Compound name
3-fluoro-2-[5-(trifluoromethyl)pyridin-2-yl]oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05728 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06456 155.4
[M+Na]+ 295.04650 165.6
[M-H]- 271.05000 155.9
[M+NH4]+ 290.09110 170.0
[M+K]+ 311.02044 160.6
[M+H-H2O]+ 255.05454 144.2
[M+HCOO]- 317.05548 173.8
[M+CH3COO]- 331.07113 199.1
[M+Na-2H]- 293.03195 160.0
[M]+ 272.05673 150.1
[M]- 272.05783 150.1
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.