CID 54595060

1208081-06-4

Structural Information

Molecular Formula
C8H8ClF3N2O
SMILES
C1=C(C=NC(=C1Cl)OCCN)C(F)(F)F
InChI
InChI=1S/C8H8ClF3N2O/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13/h3-4H,1-2,13H2
InChIKey
SAVLXYCSSWVNTD-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.02773 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03501 144.6
[M+Na]+ 263.01695 154.8
[M-H]- 239.02045 142.8
[M+NH4]+ 258.06155 161.6
[M+K]+ 278.99089 150.2
[M+H-H2O]+ 223.02499 136.4
[M+HCOO]- 285.02593 159.4
[M+CH3COO]- 299.04158 191.1
[M+Na-2H]- 261.00240 149.6
[M]+ 240.02718 143.0
[M]- 240.02828 143.0
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