CID 45089898

Methyl 2-fluorothiophene-3-carboxylate

Structural Information

Molecular Formula
C6H5FO2S
SMILES
COC(=O)C1=C(SC=C1)F
InChI
InChI=1S/C6H5FO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
InChIKey
DQDUDUMFLSERKT-UHFFFAOYSA-N
Compound name
methyl 2-fluorothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.99944 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00672 131.6
[M+Na]+ 182.98866 141.6
[M+NH4]+ 178.03326 139.9
[M+K]+ 198.96260 136.3
[M-H]- 158.99216 131.4
[M+Na-2H]- 180.97411 135.6
[M]+ 159.99889 133.2
[M]- 159.99999 133.2
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.