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 169.8
[M+Na]+ 362.02562 175.2
[M-H]- 338.02912 171.5
[M+NH4]+ 357.07022 183.7
[M+K]+ 377.99956 172.3
[M+H-H2O]+ 322.03366 160.3
[M+HCOO]- 384.03460 186.8
[M+CH3COO]- 398.05025 207.8
[M+Na-2H]- 360.01107 170.6
[M]+ 339.03585 176.5
[M]- 339.03695 176.5
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.