CID 201149

Brn 2170635

Structural Information

Molecular Formula
C11H18NO5PS2
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)N(C)C
InChI
InChI=1S/C11H18NO5PS2/c1-9-8-10(17-18(19,15-4)16-5)6-7-11(9)20(13,14)12(2)3/h6-8H,1-5H3
InChIKey
WJGIHUHCUHHMQJ-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N,N,2-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0364 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04368 168.6
[M+Na]+ 362.02562 175.2
[M-H]- 338.02912 172.1
[M+NH4]+ 357.07022 183.4
[M+K]+ 377.99956 173.3
[M+H-H2O]+ 322.03366 159.0
[M+HCOO]- 384.03460 187.0
[M+CH3COO]- 398.05025 211.5
[M+Na-2H]- 360.01107 169.3
[M]+ 339.03585 177.5
[M]- 339.03695 177.5
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.