CID 2783085

71422-81-6

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
C1=CC(=CC=C1N)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O/c13-12(14,15)8-1-6-11(17-7-8)18-10-4-2-9(16)3-5-10/h1-7H,16H2
InChIKey
LKVNUMLULPTKAU-UHFFFAOYSA-N
Compound name
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

254.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.073976 152.2
[M+Na]+ 277.055918 161.4
[M-H]- 253.059424 153.7
[M+NH4]+ 272.100523 167.3
[M+K]+ 293.029858 156.8
[M+H-H2O]+ 237.063960 141.8
[M+HCOO]- 299.064901 171.7
[M+CH3COO]- 313.080551 195.1
[M+Na-2H]- 275.041366 158.2
[M]+ 254.06615142 147.6
[M]- 254.06724858 147.6
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

patents stripe