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 126.9
[M+Na]+ 183.98389 137.3
[M-H]- 159.98739 129.0
[M+NH4]+ 179.02849 149.0
[M+K]+ 199.95783 136.2
[M+H-H2O]+ 143.99193 120.6
[M+HCOO]- 205.99287 145.6
[M+CH3COO]- 220.00852 173.0
[M+Na-2H]- 181.96934 128.9
[M]+ 160.99412 129.7
[M]- 160.99522 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.