CID 200986

Brn 2705797

Structural Information

Molecular Formula
C11H18NO5PS2
SMILES
CCOP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C11H18NO5PS2/c1-5-16-18(19,15-4)17-10-6-8-11(9-7-10)20(13,14)12(2)3/h6-9H,5H2,1-4H3
InChIKey
SYUFCKXQSWBHPR-UHFFFAOYSA-N
Compound name
4-[ethoxy(methoxy)phosphinothioyl]oxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0364 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04368 169.6
[M+Na]+ 362.02562 175.6
[M-H]- 338.02912 172.9
[M+NH4]+ 357.07022 184.3
[M+K]+ 377.99956 173.6
[M+H-H2O]+ 322.03366 159.9
[M+HCOO]- 384.03460 188.2
[M+CH3COO]- 398.05025 210.2
[M+Na-2H]- 360.01107 170.8
[M]+ 339.03585 178.2
[M]- 339.03695 178.2
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.