CID 90409260

2-azido-5-fluoropyrimidine

Structural Information

Molecular Formula
C4H2FN5
SMILES
C1=C(C=NC(=N1)N=[N+]=[N-])F
InChI
InChI=1S/C4H2FN5/c5-3-1-7-4(8-2-3)9-10-6/h1-2H
InChIKey
WZSQBYZHSXHRLS-UHFFFAOYSA-N
Compound name
2-azido-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

139.02942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.036696 119.0
[M+Na]+ 162.018638 128.1
[M-H]- 138.022144 122.0
[M+NH4]+ 157.063243 138.1
[M+K]+ 177.992578 122.6
[M+H-H2O]+ 122.026680 114.9
[M+HCOO]- 184.027621 148.4
[M+CH3COO]- 198.043271 175.5
[M+Na-2H]- 160.004086 132.7
[M]+ 139.02887142 115.4
[M]- 139.02996858 115.4
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