CID 2761204

Methyl 3-iodo-4-methylthiophene-2-carboxylate

Structural Information

Molecular Formula
C7H7IO2S
SMILES
CC1=CSC(=C1I)C(=O)OC
InChI
InChI=1S/C7H7IO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChIKey
OODUKIXZHDMZME-UHFFFAOYSA-N
Compound name
methyl 3-iodo-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

281.92114 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.92842 143.9
[M+Na]+ 304.91036 146.8
[M-H]- 280.91386 141.7
[M+NH4]+ 299.95496 161.9
[M+K]+ 320.88430 151.0
[M+H-H2O]+ 264.91840 135.6
[M+HCOO]- 326.91934 158.9
[M+CH3COO]- 340.93499 186.4
[M+Na-2H]- 302.89581 132.6
[M]+ 281.92059 145.6
[M]- 281.92169 145.6
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