CID 11470946

2-iodo-benzo[b]thiophene

Structural Information

Molecular Formula
C8H5IS
SMILES
C1=CC=C2C(=C1)C=C(S2)I
InChI
InChI=1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey
XNCFWDHWACGQBN-UHFFFAOYSA-N
Compound name
2-iodo-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

196
Patents

259.91568 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.92296 134.9
[M+Na]+ 282.90490 141.7
[M+NH4]+ 277.94950 141.9
[M+K]+ 298.87884 136.9
[M-H]- 258.90840 132.6
[M+Na-2H]- 280.89035 130.4
[M]+ 259.91513 134.8
[M]- 259.91623 134.8
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