CID 201979

Bayer 56582

Structural Information

Molecular Formula
C11H17O3PS2
SMILES
CC1=CC(=C(C=C1)SC)CSP(=O)(OC)OC
InChI
InChI=1S/C11H17O3PS2/c1-9-5-6-11(16-4)10(7-9)8-17-15(12,13-2)14-3/h5-7H,8H2,1-4H3
InChIKey
XGWWGNFDTNLHBE-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphorylsulfanylmethyl)-4-methyl-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03568 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04296 161.1
[M+Na]+ 315.02490 171.4
[M+NH4]+ 310.06950 168.7
[M+K]+ 330.99884 162.4
[M-H]- 291.02840 162.0
[M+Na-2H]- 313.01035 164.8
[M]+ 292.03513 163.8
[M]- 292.03623 163.8
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.