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

2
Patents

159.99944 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.006716 127.8
[M+Na]+ 182.988658 137.7
[M-H]- 158.992164 131.2
[M+NH4]+ 178.033263 151.3
[M+K]+ 198.962598 136.4
[M+H-H2O]+ 142.996700 122.3
[M+HCOO]- 204.997641 147.4
[M+CH3COO]- 219.013291 173.4
[M+Na-2H]- 180.974106 129.5
[M]+ 159.99889142 130.5
[M]- 159.99998858 130.5
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

patents stripe