CID 13156395

Methyl 4-iodothiophene-2-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 140.7
[M+Na]+ 290.89472 143.3
[M-H]- 266.89822 138.4
[M+NH4]+ 285.93932 159.0
[M+K]+ 306.86866 147.8
[M+H-H2O]+ 250.90276 132.3
[M+HCOO]- 312.90370 156.1
[M+CH3COO]- 326.91935 182.5
[M+Na-2H]- 288.88017 130.5
[M]+ 267.90495 141.8
[M]- 267.90605 141.8
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