CID 2773892

98968-77-5

Structural Information

Molecular Formula
C12H8ClF3N2O
SMILES
C1=CC=C(C(=C1)N)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H8ClF3N2O/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H,17H2
InChIKey
HMDILVCALCFEHG-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

87
Patents

288.0277 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03498 157.7
[M+Na]+ 311.01692 168.6
[M-H]- 287.02042 159.3
[M+NH4]+ 306.06152 172.7
[M+K]+ 326.99086 162.3
[M+H-H2O]+ 271.02496 148.1
[M+HCOO]- 333.02590 172.7
[M+CH3COO]- 347.04155 200.0
[M+Na-2H]- 309.00237 162.5
[M]+ 288.02715 155.8
[M]- 288.02825 155.8
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