CID 3047552

63716-53-0

Structural Information

Molecular Formula
C9H16Cl3O3PS2
SMILES
CCOP(=S)(OCC)SC1(C(CCCO1)(Cl)Cl)Cl
InChI
InChI=1S/C9H16Cl3O3PS2/c1-3-14-16(17,15-4-2)18-9(12)8(10,11)6-5-7-13-9/h3-7H2,1-2H3
InChIKey
HYKWCUAABJLLCQ-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.93442 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94170 157.7
[M+Na]+ 394.92364 164.1
[M-H]- 370.92714 159.8
[M+NH4]+ 389.96824 175.2
[M+K]+ 410.89758 160.7
[M+H-H2O]+ 354.93168 155.2
[M+HCOO]- 416.93262 157.8
[M+CH3COO]- 430.94827 206.5
[M+Na-2H]- 392.90909 159.5
[M]+ 371.93387 163.9
[M]- 371.93497 163.9
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.