CID 76017

2779-66-0

Structural Information

Molecular Formula
C9H11Cl2O2PS3
SMILES
COP(=S)(OC)SCSC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-7-3-4-8(10)9(11)5-7/h3-5H,6H2,1-2H3
InChIKey
BRBJXQTYAAYTQX-UHFFFAOYSA-N
Compound name
(3,4-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9036 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.91088 157.4
[M+Na]+ 370.89282 166.0
[M-H]- 346.89632 159.9
[M+NH4]+ 365.93742 173.4
[M+K]+ 386.86676 158.4
[M+H-H2O]+ 330.90086 151.4
[M+HCOO]- 392.90180 161.2
[M+CH3COO]- 406.91745 205.6
[M+Na-2H]- 368.87827 155.4
[M]+ 347.90305 164.2
[M]- 347.90415 164.2
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.