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 131.6
[M+Na]+ 292.86592 135.5
[M-H]- 268.86942 129.3
[M+NH4]+ 287.91052 149.3
[M+K]+ 308.83986 137.4
[M+H-H2O]+ 252.87396 124.2
[M+HCOO]- 314.87490 142.4
[M+CH3COO]- 328.89055 184.1
[M+Na-2H]- 290.85137 124.1
[M]+ 269.87615 132.5
[M]- 269.87725 132.5
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.