CID 13721360

3-iodobenzenethiol

Structural Information

Molecular Formula
C6H5IS
SMILES
C1=CC(=CC(=C1)I)S
InChI
InChI=1S/C6H5IS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
WVAWSDHHTJXNNA-UHFFFAOYSA-N
Compound name
3-iodobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

921
Patents

235.91566 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.92294 130.1
[M+Na]+ 258.90488 136.5
[M+NH4]+ 253.94948 136.4
[M+K]+ 274.87882 130.8
[M-H]- 234.90838 127.5
[M+Na-2H]- 256.89033 125.6
[M]+ 235.91511 129.9
[M]- 235.91621 129.9
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