CID 1368742

Oxichloron

Structural Information

Molecular Formula
C12H6Cl4O4S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
InChI=1S/C12H6Cl4O4S/c13-5-1-7(15)11(17)9(3-5)21(19,20)10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey
UOGGDVSNMLEDIZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

56
Patents

385.87408 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.88136 168.7
[M+Na]+ 408.86330 180.4
[M-H]- 384.86680 172.0
[M+NH4]+ 403.90790 181.7
[M+K]+ 424.83724 173.8
[M+H-H2O]+ 368.87134 166.9
[M+HCOO]- 430.87228 165.3
[M+CH3COO]- 444.88793 207.9
[M+Na-2H]- 406.84875 168.3
[M]+ 385.87353 174.1
[M]- 385.87463 174.1
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