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]+ 247.03748 149.1
[M+Na]+ 269.01942 156.3
[M-H]- 245.02292 151.3
[M+NH4]+ 264.06402 167.8
[M+K]+ 284.99336 151.9
[M+H-H2O]+ 229.02746 140.5
[M+HCOO]- 291.02840 167.1
[M+CH3COO]- 305.04405 191.5
[M+Na-2H]- 267.00487 148.3
[M]+ 246.02965 153.3
[M]- 246.03075 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.