CID 78792

5114-37-4

Structural Information

Molecular Formula
C11H16ClOPS2
SMILES
CC1=CC=C(C=C1)SP(=S)(CCl)OC(C)C
InChI
InChI=1S/C11H16ClOPS2/c1-9(2)13-14(15,8-12)16-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey
BFPLZFFHPDTDIC-UHFFFAOYSA-N
Compound name
chloromethyl-(4-methylphenyl)sulfanyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.00687 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01415 156.0
[M+Na]+ 316.99609 163.7
[M-H]- 292.99959 158.8
[M+NH4]+ 312.04069 173.9
[M+K]+ 332.97003 158.0
[M+H-H2O]+ 277.00413 148.7
[M+HCOO]- 339.00507 168.2
[M+CH3COO]- 353.02072 199.8
[M+Na-2H]- 314.98154 153.3
[M]+ 294.00632 162.2
[M]- 294.00742 162.2
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.