CID 74385

American cyanamid 38,064

Structural Information

Molecular Formula

C₁₀H₁₆NO₅PS₂

SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC

InChI

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

InChIKey

JIYDETKRFAWGMA-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphinothioyloxy-N-ethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.02075 Da
Monoisotopic Mass: 2.4
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	166.1
[M+Na]+	348.009968	172.3
[M-H]-	324.013474	167.9
[M+NH4]+	343.054573	180.6
[M+K]+	363.983908	169.0
[M+H-H2O]+	308.018010	156.6
[M+HCOO]-	370.018951	184.5
[M+CH3COO]-	384.034601	204.1
[M+Na-2H]-	345.995416	168.1
[M]+	325.02020142	172.9
[M]-	325.02129858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.