CID 104037065

1566229-02-4

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
CC(C(F)(F)F)OC1=CC(=NC=C1)N
InChI
InChI=1S/C8H9F3N2O/c1-5(8(9,10)11)14-6-2-3-13-7(12)4-6/h2-5H,1H3,(H2,12,13)
InChIKey
ADOXWNWNWJTEFW-UHFFFAOYSA-N
Compound name
4-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.073976 139.8
[M+Na]+ 229.055918 148.1
[M-H]- 205.059424 138.0
[M+NH4]+ 224.100523 157.0
[M+K]+ 245.029858 146.0
[M+H-H2O]+ 189.063960 130.9
[M+HCOO]- 251.064901 158.3
[M+CH3COO]- 265.080551 187.0
[M+Na-2H]- 227.041366 144.8
[M]+ 206.06615142 135.2
[M]- 206.06724858 135.2
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