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

2
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 130.6
[M+Na]+ 202.01986 140.4
[M-H]- 178.02336 127.7
[M+NH4]+ 197.06446 147.5
[M+K]+ 217.99380 138.3
[M+H-H2O]+ 162.02790 121.2
[M+HCOO]- 224.02884 149.7
[M+CH3COO]- 238.04449 179.9
[M+Na-2H]- 200.00531 138.4
[M]+ 179.03009 126.0
[M]- 179.03119 126.0
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