CID 2823632

4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
C1=COC(=C1)C2=CC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)7-4-5(14-8(13)15-7)6-2-1-3-16-6/h1-4H,(H2,13,14,15)
InChIKey
BMIBKVVDPBXCOJ-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05358 143.3
[M+Na]+ 252.03552 153.8
[M-H]- 228.03902 144.7
[M+NH4]+ 247.08012 158.8
[M+K]+ 268.00946 151.0
[M+H-H2O]+ 212.04356 133.3
[M+HCOO]- 274.04450 162.5
[M+CH3COO]- 288.06015 188.7
[M+Na-2H]- 250.02097 149.2
[M]+ 229.04575 139.7
[M]- 229.04685 139.7
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

No patent data available for this compound.