CID 18981188

4,6-difluoro-5-nitropyrimidine

Structural Information

Molecular Formula
C4HF2N3O2
SMILES
C1=NC(=C(C(=N1)F)[N+](=O)[O-])F
InChI
InChI=1S/C4HF2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H
InChIKey
IVFJDFBMPCPALG-UHFFFAOYSA-N
Compound name
4,6-difluoro-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

161.00368 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01096 121.8
[M+Na]+ 183.99290 132.2
[M-H]- 159.99640 121.2
[M+NH4]+ 179.03750 139.4
[M+K]+ 199.96684 126.6
[M+H-H2O]+ 144.00094 118.1
[M+HCOO]- 206.00188 144.6
[M+CH3COO]- 220.01753 170.6
[M+Na-2H]- 181.97835 131.6
[M]+ 161.00313 118.2
[M]- 161.00423 118.2
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

patents stripe