CID 197876

Ciba c 8874

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

0
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

No patent data available for this compound.