CID 81753647

1543222-76-9

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
C1=CN=CC(=C1CN)OCC(F)(F)F
InChI
InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-4-13-2-1-6(7)3-12/h1-2,4H,3,5,12H2
InChIKey
ZXLYVWQBTJMWEM-UHFFFAOYSA-N
Compound name
[3-(2,2,2-trifluoroethoxy)pyridin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

206.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07398 139.7
[M+Na]+ 229.05592 148.3
[M-H]- 205.05942 137.8
[M+NH4]+ 224.10052 157.0
[M+K]+ 245.02986 145.6
[M+H-H2O]+ 189.06396 130.6
[M+HCOO]- 251.06490 159.1
[M+CH3COO]- 265.08055 186.2
[M+Na-2H]- 227.04137 145.9
[M]+ 206.06615 135.7
[M]- 206.06725 135.7
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