CID 102602026

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

Structural Information

Molecular Formula
C9H12ClO3PS3
SMILES
COP(=S)(OC)SCS(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H12ClO3PS3/c1-12-14(15,13-2)16-7-17(11)9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
InChIKey
MJIMOALQWLBUJD-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfinylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.93747 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94475 157.7
[M+Na]+ 352.92669 165.1
[M-H]- 328.93019 159.8
[M+NH4]+ 347.97129 173.3
[M+K]+ 368.90063 158.5
[M+H-H2O]+ 312.93473 150.2
[M+HCOO]- 374.93567 165.5
[M+CH3COO]- 388.95132 202.2
[M+Na-2H]- 350.91214 156.0
[M]+ 329.93692 163.6
[M]- 329.93802 163.6
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.