CID 36904

2,3,4-trichlorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl4O2S
SMILES
C1=CC(=C(C(=C1S(=O)(=O)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKey
JDAJYNHGBUXIKS-UHFFFAOYSA-N
Compound name
2,3,4-trichlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

277.85297 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.86025 159.7
[M+Na]+ 300.84219 174.1
[M+NH4]+ 295.88679 168.0
[M+K]+ 316.81613 164.6
[M-H]- 276.84569 160.2
[M+Na-2H]- 298.82764 164.8
[M]+ 277.85242 163.5
[M]- 277.85352 163.5
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

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