CID 90474164

(4-chlorophenyl)sulfonylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

Structural Information

Molecular Formula
C9H12ClO4PS3
SMILES
COP(=S)(OC)SCS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClO4PS3/c1-13-15(16,14-2)17-7-18(11,12)9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
InChIKey
SPNAGUFFJDAMAP-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfonylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.93237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.93965 164.5
[M+Na]+ 368.92159 172.3
[M-H]- 344.92509 166.7
[M+NH4]+ 363.96619 179.4
[M+K]+ 384.89553 165.6
[M+H-H2O]+ 328.92963 156.9
[M+HCOO]- 390.93057 172.5
[M+CH3COO]- 404.94622 203.0
[M+Na-2H]- 366.90704 165.1
[M]+ 345.93182 170.9
[M]- 345.93292 170.9
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.