CID 90078

3,5-dichloro-2-hydroxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H3Cl3O3S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)Cl)O)Cl)Cl
InChI
InChI=1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H
InChIKey
KXFQRJNVGBIDHA-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

259.88684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.89412 141.3
[M+Na]+ 282.87606 153.3
[M-H]- 258.87956 144.0
[M+NH4]+ 277.92066 159.9
[M+K]+ 298.85000 147.4
[M+H-H2O]+ 242.88410 140.0
[M+HCOO]- 304.88504 144.7
[M+CH3COO]- 318.90069 186.1
[M+Na-2H]- 280.86151 144.2
[M]+ 259.88629 146.5
[M]- 259.88739 146.5
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

patents stripe