CID 167772

18936-66-8

Structural Information

Molecular Formula
C14H12BrCl2O2PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl
InChI
InChI=1S/C14H12BrCl2O2PS/c1-2-18-20(21,10-6-4-3-5-7-10)19-14-9-12(16)11(15)8-13(14)17/h3-9H,2H2,1H3
InChIKey
ZEWUWNVXERZVIT-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dichlorophenoxy)-ethoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.88562 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.89290 171.0
[M+Na]+ 446.87484 177.1
[M+NH4]+ 441.91944 176.4
[M+K]+ 462.84878 173.5
[M-H]- 422.87834 173.2
[M+Na-2H]- 444.86029 176.2
[M]+ 423.88507 172.5
[M]- 423.88617 172.5
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.