CID 53408938

1053656-91-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03501 144.4
[M+Na]+ 263.01695 154.1
[M-H]- 239.02045 141.7
[M+NH4]+ 258.06155 160.9
[M+K]+ 278.99089 149.0
[M+H-H2O]+ 223.02499 136.4
[M+HCOO]- 285.02593 158.3
[M+CH3COO]- 299.04158 189.2
[M+Na-2H]- 261.00240 150.0
[M]+ 240.02718 141.9
[M]- 240.02828 141.9
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.