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]+ 247.03748 147.1
[M+Na]+ 269.01942 155.7
[M-H]- 245.02292 150.0
[M+NH4]+ 264.06402 166.3
[M+K]+ 284.99336 151.4
[M+H-H2O]+ 229.02746 138.9
[M+HCOO]- 291.02840 164.9
[M+CH3COO]- 305.04405 193.6
[M+Na-2H]- 267.00487 145.3
[M]+ 246.02965 152.0
[M]- 246.03075 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.