CID 74698

1902-25-6

Structural Information

Molecular Formula

C₁₀H₁₆NO₅PS₂

SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C10H16NO5PS2/c1-3-14-17(18,15-4-2)16-9-5-7-10(8-6-9)19(11,12)13/h5-8H,3-4H2,1-2H3,(H2,11,12,13)

InChIKey

AREISRHESIVGTH-UHFFFAOYSA-N

Compound name

4-diethoxyphosphinothioyloxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 325.02075 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.028026	166.4
[M+Na]+	348.009968	172.6
[M-H]-	324.013474	167.7
[M+NH4]+	343.054573	180.6
[M+K]+	363.983908	168.9
[M+H-H2O]+	308.018010	157.0
[M+HCOO]-	370.018951	184.2
[M+CH3COO]-	384.034601	203.5
[M+Na-2H]-	345.995416	167.5
[M]+	325.02020142	172.3
[M]-	325.02129858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe