CID 197876

Phosphorothioic acid, o-(2,5-dichloro-4-iodophenyl) o,o-diethyl ester

Structural Information

Molecular Formula
C10H12Cl2IO3PS
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)I)Cl
InChI
InChI=1S/C10H12Cl2IO3PS/c1-3-14-17(18,15-4-2)16-10-6-7(11)9(13)5-8(10)12/h5-6H,3-4H2,1-2H3
InChIKey
GXEPRTHEHNIAKD-UHFFFAOYSA-N
Compound name
(2,5-dichloro-4-iodophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

439.86667 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.87395 171.8
[M+Na]+ 462.85589 174.9
[M-H]- 438.85939 168.3
[M+NH4]+ 457.90049 184.3
[M+K]+ 478.82983 175.7
[M+H-H2O]+ 422.86393 162.2
[M+HCOO]- 484.86487 181.3
[M+CH3COO]- 498.88052 212.0
[M+Na-2H]- 460.84134 159.5
[M]+ 439.86612 179.3
[M]- 439.86722 179.3
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