CID 170023

O-(2,5-dichloro-4-iodophenyl) o-methyl phenylphosphonothioate

Structural Information

Molecular Formula
C13H10Cl2IO2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)I)Cl
InChI
InChI=1S/C13H10Cl2IO2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-10(14)12(16)7-11(13)15/h2-8H,1H3
InChIKey
JLUQCOKCNNKESJ-UHFFFAOYSA-N
Compound name
(2,5-dichloro-4-iodophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.85608 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.86336 175.5
[M+Na]+ 480.84530 178.9
[M-H]- 456.84880 174.5
[M+NH4]+ 475.88990 186.9
[M+K]+ 496.81924 178.4
[M+H-H2O]+ 440.85334 164.5
[M+HCOO]- 502.85428 185.2
[M+CH3COO]- 516.86993 214.3
[M+Na-2H]- 478.83075 164.0
[M]+ 457.85553 180.4
[M]- 457.85663 180.4
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.