CID 116441

Geigy g-35163

Structural Information

Molecular Formula
C9H12ClO2PS3
SMILES
COP(=S)(OC)SCSC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-4-8(10)6-9/h3-6H,7H2,1-2H3
InChIKey
LKQNSSGSQQSDOG-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.94257 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.94985 159.0
[M+Na]+ 336.93179 169.4
[M+NH4]+ 331.97639 167.6
[M+K]+ 352.90573 158.2
[M-H]- 312.93529 160.6
[M+Na-2H]- 334.91724 162.7
[M]+ 313.94202 162.6
[M]- 313.94312 162.6
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.