CID 120125

2-propanol, 1,3-dichloro-, phosphorothioate (3:1)

Structural Information

Molecular Formula
C9H15Cl6O3PS
SMILES
C(C(CCl)OP(=S)(OC(CCl)CCl)OC(CCl)CCl)Cl
InChI
InChI=1S/C9H15Cl6O3PS/c10-1-7(2-11)16-19(20,17-8(3-12)4-13)18-9(5-14)6-15/h7-9H,1-6H2
InChIKey
MVFGNANFVLWWJR-UHFFFAOYSA-N
Compound name
tris(1,3-dichloropropan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.86108 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.86836 178.3
[M+Na]+ 466.85030 182.0
[M-H]- 442.85380 173.2
[M+NH4]+ 461.89490 188.6
[M+K]+ 482.82424 178.5
[M+H-H2O]+ 426.85834 176.3
[M+HCOO]- 488.85928 168.2
[M+CH3COO]- 502.87493 223.0
[M+Na-2H]- 464.83575 171.2
[M]+ 443.86053 181.1
[M]- 443.86163 181.1
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.