CID 9529

Stauffer n-2788

Structural Information

Molecular Formula
C11H17OPS2
SMILES
CCOCCP(=S)(C1=CC=C(C=C1)C)S
InChI
InChI=1S/C11H17OPS2/c1-3-12-8-9-13(14,15)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKey
XJPQQYILDIYJHE-UHFFFAOYSA-N
Compound name
2-ethoxyethyl-(4-methylphenyl)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.04584 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05312 152.6
[M+Na]+ 283.03506 160.1
[M-H]- 259.03856 154.9
[M+NH4]+ 278.07966 171.0
[M+K]+ 299.00900 155.5
[M+H-H2O]+ 243.04310 144.0
[M+HCOO]- 305.04404 170.2
[M+CH3COO]- 319.05969 195.5
[M+Na-2H]- 281.02051 150.8
[M]+ 260.04529 157.5
[M]- 260.04639 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

patents stripe