CID 75652

O,o-diisopropyl chlorothiophosphate

Structural Information

Molecular Formula
C6H14ClO2PS
SMILES
CC(C)OP(=S)(OC(C)C)Cl
InChI
InChI=1S/C6H14ClO2PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3
InChIKey
DWKVPAJIUJRQDW-UHFFFAOYSA-N
Compound name
chloro-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

216.01407 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02135 141.8
[M+Na]+ 239.00329 149.4
[M-H]- 215.00679 141.8
[M+NH4]+ 234.04789 162.7
[M+K]+ 254.97723 147.5
[M+H-H2O]+ 199.01133 136.2
[M+HCOO]- 261.01227 158.5
[M+CH3COO]- 275.02792 186.8
[M+Na-2H]- 236.98874 140.5
[M]+ 216.01352 148.9
[M]- 216.01462 148.9
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.