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

56
Patents

139.02942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03670 119.0
[M+Na]+ 162.01864 128.1
[M-H]- 138.02214 122.0
[M+NH4]+ 157.06324 138.1
[M+K]+ 177.99258 122.6
[M+H-H2O]+ 122.02668 114.9
[M+HCOO]- 184.02762 148.4
[M+CH3COO]- 198.04327 175.5
[M+Na-2H]- 160.00409 132.7
[M]+ 139.02887 115.4
[M]- 139.02997 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