CID 271456

4-iodo-2-methylthiophene

Structural Information

Molecular Formula
C5H5IS
SMILES
CC1=CC(=CS1)I
InChI
InChI=1S/C5H5IS/c1-4-2-5(6)3-7-4/h2-3H,1H3
InChIKey
JGTPSADJRIJFMQ-UHFFFAOYSA-N
Compound name
4-iodo-2-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

223.91566 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92294 127.3
[M+Na]+ 246.90488 130.5
[M-H]- 222.90838 125.1
[M+NH4]+ 241.94948 147.6
[M+K]+ 262.87882 134.7
[M+H-H2O]+ 206.91292 119.4
[M+HCOO]- 268.91386 143.5
[M+CH3COO]- 282.92951 176.8
[M+Na-2H]- 244.89033 118.8
[M]+ 223.91511 126.7
[M]- 223.91621 126.7
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