CID 200995

3078-85-1

Structural Information

Molecular Formula
C12H20NO5PS2
SMILES
CCCCNS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C12H20NO5PS2/c1-4-5-10-13-21(14,15)12-8-6-11(7-9-12)18-19(20,16-2)17-3/h6-9,13H,4-5,10H2,1-3H3
InChIKey
HTQIEXVOHZYCJE-UHFFFAOYSA-N
Compound name
N-butyl-4-dimethoxyphosphinothioyloxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05206 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05934 174.7
[M+Na]+ 376.04128 180.0
[M-H]- 352.04478 176.1
[M+NH4]+ 371.08588 188.0
[M+K]+ 392.01522 176.3
[M+H-H2O]+ 336.04932 164.8
[M+HCOO]- 398.05026 192.4
[M+CH3COO]- 412.06591 210.0
[M+Na-2H]- 374.02673 175.9
[M]+ 353.05151 182.2
[M]- 353.05261 182.2
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.