CID 165882286

6-chloro-2-fluoro-3-iodobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl2FIO2S
SMILES
C1=CC(=C(C(=C1Cl)S(=O)(=O)Cl)F)I
InChI
InChI=1S/C6H2Cl2FIO2S/c7-3-1-2-4(10)5(9)6(3)13(8,11)12/h1-2H
InChIKey
ZVIRXFWASVBKOC-UHFFFAOYSA-N
Compound name
6-chloro-2-fluoro-3-iodobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.8181 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.82538 143.9
[M+Na]+ 376.80732 149.4
[M-H]- 352.81082 140.6
[M+NH4]+ 371.85192 158.9
[M+K]+ 392.78126 149.8
[M+H-H2O]+ 336.81536 136.8
[M+HCOO]- 398.81630 148.5
[M+CH3COO]- 412.83195 194.5
[M+Na-2H]- 374.79277 135.8
[M]+ 353.81755 146.0
[M]- 353.81865 146.0
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.