CID 16789486

771584-26-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

206.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.073976 139.7
[M+Na]+ 229.055918 148.3
[M-H]- 205.059424 137.8
[M+NH4]+ 224.100523 157.0
[M+K]+ 245.029858 145.6
[M+H-H2O]+ 189.063960 130.6
[M+HCOO]- 251.064901 159.1
[M+CH3COO]- 265.080551 186.2
[M+Na-2H]- 227.041366 145.9
[M]+ 206.06615142 135.7
[M]- 206.06724858 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