CID 3366

5-fluorocytosine

Structural Information

Molecular Formula
C4H4FN3O
SMILES
C1=NC(=O)NC(=C1F)N
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey
XRECTZIEBJDKEO-UHFFFAOYSA-N
Compound name
6-amino-5-fluoro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3488
References

65520
Patents

129.03384 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04112 120.1
[M+Na]+ 152.02306 130.7
[M-H]- 128.02656 118.9
[M+NH4]+ 147.06766 138.7
[M+K]+ 167.99700 127.7
[M+H-H2O]+ 112.03110 112.9
[M+HCOO]- 174.03204 142.0
[M+CH3COO]- 188.04769 169.3
[M+Na-2H]- 150.00851 127.8
[M]+ 129.03329 116.0
[M]- 129.03439 116.0
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

patents stripe