CID 15533897

Methyl 4-fluorothiophene-2-carboxylate

Structural Information

Molecular Formula
C6H5FO2S
SMILES
COC(=O)C1=CC(=CS1)F
InChI
InChI=1S/C6H5FO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3
InChIKey
XQDIKAOOGCLKQR-UHFFFAOYSA-N
Compound name
methyl 4-fluorothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 127.8
[M+Na]+ 182.98866 137.7
[M-H]- 158.99216 131.2
[M+NH4]+ 178.03326 151.3
[M+K]+ 198.96260 136.4
[M+H-H2O]+ 142.99670 122.3
[M+HCOO]- 204.99764 147.4
[M+CH3COO]- 219.01329 173.4
[M+Na-2H]- 180.97411 129.5
[M]+ 159.99889 130.5
[M]- 159.99999 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