CID 200746

Bayer 34098

Structural Information

Molecular Formula
C10H15OPS2
SMILES
CC1=C(C=CC(=C1)OP(=S)(C)C)SC
InChI
InChI=1S/C10H15OPS2/c1-8-7-9(11-12(2,3)13)5-6-10(8)14-4/h5-7H,1-4H3
InChIKey
IMWZFUZAMUZWAA-UHFFFAOYSA-N
Compound name
dimethyl-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0302 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.037476 147.1
[M+Na]+ 269.019418 155.7
[M-H]- 245.022924 150.0
[M+NH4]+ 264.064023 166.3
[M+K]+ 284.993358 151.4
[M+H-H2O]+ 229.027460 138.9
[M+HCOO]- 291.028401 164.9
[M+CH3COO]- 305.044051 193.6
[M+Na-2H]- 267.004866 145.3
[M]+ 246.02965142 152.0
[M]- 246.03074858 152.0
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.