CID 135401038

Aimfpp

Structural Information

Molecular Formula
C10H7FIN3O
SMILES
C1=CC(=CC(=C1)F)C2=C(C(=O)NC(=N2)N)I
InChI
InChI=1S/C10H7FIN3O/c11-6-3-1-2-5(4-6)8-7(12)9(16)15-10(13)14-8/h1-4H,(H3,13,14,15,16)
InChIKey
OKNMQQVSQSQFEN-UHFFFAOYSA-N
Compound name
2-amino-4-(3-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

330.9618 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.96908 154.2
[M+Na]+ 353.95102 157.8
[M-H]- 329.95452 149.2
[M+NH4]+ 348.99562 164.2
[M+K]+ 369.92496 158.2
[M+H-H2O]+ 313.95906 141.8
[M+HCOO]- 375.96000 170.1
[M+CH3COO]- 389.97565 196.7
[M+Na-2H]- 351.93647 147.5
[M]+ 330.96125 148.2
[M]- 330.96235 148.2
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

No patent data available for this compound.