CID 122596

Bayer 26405

Structural Information

Molecular Formula
C10H14ClO2PS3
SMILES
COP(=S)(OC)SCCSC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H14ClO2PS3/c1-12-14(15,13-2)17-8-7-16-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
VCWSCCLHRXFDOW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.95822 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.96550 159.1
[M+Na]+ 350.94744 166.6
[M-H]- 326.95094 161.0
[M+NH4]+ 345.99204 175.1
[M+K]+ 366.92138 159.4
[M+H-H2O]+ 310.95548 151.3
[M+HCOO]- 372.95642 167.2
[M+CH3COO]- 386.97207 203.2
[M+Na-2H]- 348.93289 157.3
[M]+ 327.95767 165.1
[M]- 327.95877 165.1
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.