CID 45122160

6-fluoro-5-nitropyrimidin-4-amine

Structural Information

Molecular Formula
C4H3FN4O2
SMILES
C1=NC(=C(C(=N1)F)[N+](=O)[O-])N
InChI
InChI=1S/C4H3FN4O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,(H2,6,7,8)
InChIKey
TZFNJVQGFIGXHZ-UHFFFAOYSA-N
Compound name
6-fluoro-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.024 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03128 123.3
[M+Na]+ 181.01322 132.7
[M-H]- 157.01672 123.6
[M+NH4]+ 176.05782 140.4
[M+K]+ 196.98716 127.0
[M+H-H2O]+ 141.02126 120.1
[M+HCOO]- 203.02220 147.5
[M+CH3COO]- 217.03785 171.8
[M+Na-2H]- 178.99867 133.0
[M]+ 158.02345 119.1
[M]- 158.02455 119.1
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

No patent data available for this compound.