CID 627400

2-iodobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClIO2S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)Cl)I
InChI
InChI=1S/C6H4ClIO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H
InChIKey
ZPNWNLNPDRYULE-UHFFFAOYSA-N
Compound name
2-iodobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

240
Patents

301.86652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.87380 145.8
[M+Na]+ 324.85574 151.7
[M+NH4]+ 319.90034 150.5
[M+K]+ 340.82968 146.9
[M-H]- 300.85924 141.1
[M+Na-2H]- 322.84119 140.0
[M]+ 301.86597 145.1
[M]- 301.86707 145.1
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