CID 74384

1713-54-8

Structural Information

Molecular Formula
C11H18NO5PS2
SMILES
CC(C)NS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C11H18NO5PS2/c1-9(2)12-20(13,14)11-7-5-10(6-8-11)17-18(19,15-3)16-4/h5-9,12H,1-4H3
InChIKey
FLEMBQBTBMFRHO-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04368 171.6
[M+Na]+ 362.02562 178.4
[M+NH4]+ 357.07022 176.5
[M+K]+ 377.99956 172.6
[M-H]- 338.02912 170.1
[M+Na-2H]- 360.01107 173.9
[M]+ 339.03585 172.7
[M]- 339.03695 172.7
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.