CID 135480621

2-amino-5-iodo-4-(trifluoromethyl)-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C5H3F3IN3O
SMILES
C1(=C(N=C(NC1=O)N)C(F)(F)F)I
InChI
InChI=1S/C5H3F3IN3O/c6-5(7,8)2-1(9)3(13)12-4(10)11-2/h(H3,10,11,12,13)
InChIKey
QSKXNZXDPHOVRN-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-(trifluoromethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.92728 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.93456 142.9
[M+Na]+ 327.91650 147.0
[M-H]- 303.92000 132.9
[M+NH4]+ 322.96110 154.2
[M+K]+ 343.89044 148.9
[M+H-H2O]+ 287.92454 130.9
[M+HCOO]- 349.92548 155.6
[M+CH3COO]- 363.94113 190.3
[M+Na-2H]- 325.90195 136.4
[M]+ 304.92673 134.5
[M]- 304.92783 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.