CID 220277

5323-59-1

Structural Information

Molecular Formula
C16H8Cl4O4S
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(S2(=O)=O)C3=C(C=C(C=C3)Cl)Cl)O)O
InChI
InChI=1S/C16H8Cl4O4S/c17-7-1-3-9(11(19)5-7)15-13(21)14(22)16(25(15,23)24)10-4-2-8(18)6-12(10)20/h1-6,21-22H
InChIKey
RHBCOSLUCRSTGD-UHFFFAOYSA-N
Compound name
2,5-bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.88974 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.89702 182.9
[M+Na]+ 458.87896 196.6
[M-H]- 434.88246 189.6
[M+NH4]+ 453.92356 197.8
[M+K]+ 474.85290 189.2
[M+H-H2O]+ 418.88700 181.0
[M+HCOO]- 480.88794 181.8
[M+CH3COO]- 494.90359 193.3
[M+Na-2H]- 456.86441 180.0
[M]+ 435.88919 190.2
[M]- 435.89029 190.2
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.