CID 76723

3239-63-2

Structural Information

Molecular Formula
C10H15OPS2
SMILES
CCCSP(=S)(C)OC1=CC=CC=C1
InChI
InChI=1S/C10H15OPS2/c1-3-9-14-12(2,13)11-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey
WGAOJKBMFUUZJC-UHFFFAOYSA-N
Compound name
methyl-phenoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0302 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.037476 149.1
[M+Na]+ 269.019418 156.3
[M-H]- 245.022924 151.3
[M+NH4]+ 264.064023 167.8
[M+K]+ 284.993358 151.9
[M+H-H2O]+ 229.027460 140.5
[M+HCOO]- 291.028401 167.1
[M+CH3COO]- 305.044051 191.5
[M+Na-2H]- 267.004866 148.3
[M]+ 246.02965142 153.3
[M]- 246.03074858 153.3
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.