CID 8484

121-63-1

Structural Information

Molecular Formula
C12H8Cl2O5S2
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
InChIKey
HJKXLQIPODSWMB-UHFFFAOYSA-N
Compound name
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

365
Patents

365.919 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.92628 172.5
[M+Na]+ 388.90822 183.0
[M-H]- 364.91172 179.9
[M+NH4]+ 383.95282 186.8
[M+K]+ 404.88216 176.6
[M+H-H2O]+ 348.91626 168.0
[M+HCOO]- 410.91720 176.4
[M+CH3COO]- 424.93285 202.7
[M+Na-2H]- 386.89367 176.8
[M]+ 365.91845 180.7
[M]- 365.91955 180.7
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