CID 207874

Brn 2174970

Structural Information

Molecular Formula
C14H24NO5PS2
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C14H24NO5PS2/c1-5-15(6-2)23(16,17)14-11-9-13(10-12-14)20-21(22,18-7-3)19-8-4/h9-12H,5-8H2,1-4H3
InChIKey
HLFQAXCZRXTDPF-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.08334 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09062 182.8
[M+Na]+ 404.07256 187.4
[M-H]- 380.07606 185.4
[M+NH4]+ 399.11716 195.7
[M+K]+ 420.04650 184.7
[M+H-H2O]+ 364.08060 172.4
[M+HCOO]- 426.08154 200.4
[M+CH3COO]- 440.09719 219.0
[M+Na-2H]- 402.05801 182.7
[M]+ 381.08279 192.3
[M]- 381.08389 192.3
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.