CID 201015

3099-88-5

Structural Information

Molecular Formula
C11H17OPS2
SMILES
CCOP(=S)(CC)SC1=CC=CC=C1C
InChI
InChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKey
BYHHSLDPFVMBTJ-UHFFFAOYSA-N
Compound name
ethoxy-ethyl-(2-methylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04584 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.053116 152.6
[M+Na]+ 283.035058 160.1
[M-H]- 259.038564 154.9
[M+NH4]+ 278.079663 171.0
[M+K]+ 299.008998 155.5
[M+H-H2O]+ 243.043100 144.0
[M+HCOO]- 305.044041 170.2
[M+CH3COO]- 319.059691 195.5
[M+Na-2H]- 281.020506 150.8
[M]+ 260.04529142 157.5
[M]- 260.04638858 157.5
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.