CID 7399

4-iodobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClIO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)Cl)I
InChI
InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKey
POXFXTSTVWDWIR-UHFFFAOYSA-N
Compound name
4-iodobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1775
Patents

301.86652 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.87380 142.1
[M+Na]+ 324.85574 145.8
[M-H]- 300.85924 139.8
[M+NH4]+ 319.90034 158.2
[M+K]+ 340.82968 147.7
[M+H-H2O]+ 284.86378 134.5
[M+HCOO]- 346.86472 152.2
[M+CH3COO]- 360.88037 185.4
[M+Na-2H]- 322.84119 135.6
[M]+ 301.86597 143.6
[M]- 301.86707 143.6
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