CID 2759869

Methyl 3-iodothiophene-2-carboxylate

Structural Information

Molecular Formula
C6H5IO2S
SMILES
COC(=O)C1=C(C=CS1)I
InChI
InChI=1S/C6H5IO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey
OQVZCJDXKDUWDY-UHFFFAOYSA-N
Compound name
methyl 3-iodothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

267.9055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.91278 142.8
[M+Na]+ 290.89472 146.0
[M+NH4]+ 285.93932 147.3
[M+K]+ 306.86866 143.7
[M-H]- 266.89822 137.8
[M+Na-2H]- 288.88017 134.7
[M]+ 267.90495 141.1
[M]- 267.90605 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe