CID 51349867

2-chloro-4-iodobenzenethiol

Structural Information

Molecular Formula
C6H4ClIS
SMILES
C1=CC(=C(C=C1I)Cl)S
InChI
InChI=1S/C6H4ClIS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey
MKOCZXAVSOPBHV-UHFFFAOYSA-N
Compound name
2-chloro-4-iodobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.8767 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.88398 135.1
[M+Na]+ 292.86592 142.5
[M+NH4]+ 287.91052 141.6
[M+K]+ 308.83986 136.3
[M-H]- 268.86942 132.5
[M+Na-2H]- 290.85137 130.5
[M]+ 269.87615 135.3
[M]- 269.87725 135.3
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

No patent data available for this compound.