CID 130865665

Methyl 2-fluoro-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C5H4FNO2S
SMILES
COC(=O)C1=CN=C(S1)F
InChI
InChI=1S/C5H4FNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey
JANIQEDEYRKKOS-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.99467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00195 131.1
[M+Na]+ 183.98389 141.1
[M+NH4]+ 179.02849 138.7
[M+K]+ 199.95783 136.2
[M-H]- 159.98739 130.0
[M+Na-2H]- 181.96934 134.8
[M]+ 160.99412 132.3
[M]- 160.99522 132.3
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.