CID 551076

2-fluoro-5-nitropyrimidine

Structural Information

Molecular Formula
C4H2FN3O2
SMILES
C1=C(C=NC(=N1)F)[N+](=O)[O-]
InChI
InChI=1S/C4H2FN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKey
WCDBZXCLAVZHBQ-UHFFFAOYSA-N
Compound name
2-fluoro-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

143.0131 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02038 119.9
[M+Na]+ 166.00232 129.3
[M-H]- 142.00582 120.3
[M+NH4]+ 161.04692 138.0
[M+K]+ 181.97626 124.2
[M+H-H2O]+ 126.01036 116.9
[M+HCOO]- 188.01130 143.8
[M+CH3COO]- 202.02695 166.8
[M+Na-2H]- 163.98777 130.9
[M]+ 143.01255 117.1
[M]- 143.01365 117.1
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