CID 207864

Brn 2170649

Structural Information

Molecular Formula
C11H18NO5PS2
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C11H18NO5PS2/c1-4-9-12-20(13,14)11-7-5-10(6-8-11)17-18(19,15-2)16-3/h5-8,12H,4,9H2,1-3H3
InChIKey
SBOYHFZQHRYBBV-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0364 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04368 170.4
[M+Na]+ 362.02562 176.2
[M-H]- 338.02912 172.0
[M+NH4]+ 357.07022 184.3
[M+K]+ 377.99956 172.6
[M+H-H2O]+ 322.03366 160.7
[M+HCOO]- 384.03460 188.5
[M+CH3COO]- 398.05025 207.0
[M+Na-2H]- 360.01107 172.0
[M]+ 339.03585 177.6
[M]- 339.03695 177.6
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.