CID 138532683

5-(trifluoromethoxy)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H4F3N3O
SMILES
C1=C(C=NC(=N1)N)OC(F)(F)F
InChI
InChI=1S/C5H4F3N3O/c6-5(7,8)12-3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
InChIKey
SBCPMOQVZNGJPL-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03792 133.2
[M+Na]+ 202.01986 141.8
[M+NH4]+ 197.06446 138.0
[M+K]+ 217.99380 138.3
[M-H]- 178.02336 129.3
[M+Na-2H]- 200.00531 137.8
[M]+ 179.03009 132.9
[M]- 179.03119 132.9
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.