CID 3068127

Bayer 52752

Structural Information

Molecular Formula
C12H19O3PS2
SMILES
CC1=C(C=CC(=C1)OP(=S)(C(C)C)OC)S(=O)C
InChI
InChI=1S/C12H19O3PS2/c1-9(2)16(17,14-4)15-11-6-7-12(18(5)13)10(3)8-11/h6-9H,1-5H3
InChIKey
VSPBZRIQOJJFLT-UHFFFAOYSA-N
Compound name
methoxy-(3-methyl-4-methylsulfinylphenoxy)-propan-2-yl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05133 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05861 164.7
[M+Na]+ 329.04055 174.0
[M+NH4]+ 324.08515 171.6
[M+K]+ 345.01449 166.4
[M-H]- 305.04405 164.9
[M+Na-2H]- 327.02600 167.5
[M]+ 306.05078 166.9
[M]- 306.05188 166.9
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.