CID 3072007

5h-thiazolo(3,2-a)pyrimidin-5-one, 2,3-dihydro-6-fluoro-

Structural Information

Molecular Formula
C6H5FN2OS
SMILES
C1CSC2=NC=C(C(=O)N21)F
InChI
InChI=1S/C6H5FN2OS/c7-4-3-8-6-9(5(4)10)1-2-11-6/h3H,1-2H2
InChIKey
XGRCKEXQDZKAQY-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.01067 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01795 128.2
[M+Na]+ 194.99989 140.1
[M-H]- 171.00339 129.8
[M+NH4]+ 190.04449 149.9
[M+K]+ 210.97383 137.2
[M+H-H2O]+ 155.00793 121.6
[M+HCOO]- 217.00887 144.8
[M+CH3COO]- 231.02452 142.4
[M+Na-2H]- 192.98534 132.2
[M]+ 172.01012 129.3
[M]- 172.01122 129.3
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.