CID 170881

50654-88-1

Structural Information

Molecular Formula
C18H9Br2Cl4O2PS
SMILES
C1=CC=C(C=C1)P(=S)(OC2=CC(=C(C=C2Cl)Br)Cl)OC3=CC(=C(C=C3Cl)Br)Cl
InChI
InChI=1S/C18H9Br2Cl4O2PS/c19-11-6-15(23)17(8-13(11)21)25-27(28,10-4-2-1-3-5-10)26-18-9-14(22)12(20)7-16(18)24/h1-9H
InChIKey
OMTHXIBKHBWTDR-UHFFFAOYSA-N
Compound name
bis(4-bromo-2,5-dichlorophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.71814 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.72542 190.2
[M+Na]+ 640.70736 204.2
[M-H]- 616.71086 199.5
[M+NH4]+ 635.75196 202.3
[M+K]+ 656.68130 186.7
[M+H-H2O]+ 600.71540 197.2
[M+HCOO]- 662.71634 189.9
[M+CH3COO]- 676.73199 241.0
[M+Na-2H]- 638.69281 189.7
[M]+ 617.71759 227.0
[M]- 617.71869 227.0
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.