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]+ 162.001946 126.9
[M+Na]+ 183.983888 137.3
[M-H]- 159.987394 129.0
[M+NH4]+ 179.028493 149.0
[M+K]+ 199.957828 136.2
[M+H-H2O]+ 143.991930 120.6
[M+HCOO]- 205.992871 145.6
[M+CH3COO]- 220.008521 173.0
[M+Na-2H]- 181.969336 128.9
[M]+ 160.99412142 129.7
[M]- 160.99521858 129.7
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.