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
2
Annotation Hits

0
References

320
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 146.5
[M+Na]+ 300.84219 158.1
[M-H]- 276.84569 148.8
[M+NH4]+ 295.88679 164.4
[M+K]+ 316.81613 152.5
[M+H-H2O]+ 260.85023 145.3
[M+HCOO]- 322.85117 145.4
[M+CH3COO]- 336.86682 192.6
[M+Na-2H]- 298.82764 148.0
[M]+ 277.85242 150.7
[M]- 277.85352 150.7
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