CID 70377

Brn 2118451

Structural Information

Molecular Formula
C11H17O2PS2
SMILES
CCOP(=S)(OCC)SC1=CC=C(C=C1)C
InChI
InChI=1S/C11H17O2PS2/c1-4-12-14(15,13-5-2)16-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKey
QLCGYBKCWYULKB-UHFFFAOYSA-N
Compound name
diethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.04077 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04805 157.4
[M+Na]+ 299.02999 167.8
[M+NH4]+ 294.07459 165.6
[M+K]+ 315.00393 158.2
[M-H]- 275.03349 158.8
[M+Na-2H]- 297.01544 161.7
[M]+ 276.04022 160.3
[M]- 276.04132 160.3
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.