CID 5859

Famphur

Structural Information

Molecular Formula

C₁₀H₁₆NO₅PS₂

SMILES

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

InChI

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

InChIKey

JISACBWYRJHSMG-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 39
References: 16674
Patents: 325.02075 Da
Monoisotopic Mass: 2.2
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	165.2
[M+Na]+	348.009968	171.6
[M-H]-	324.013474	168.7
[M+NH4]+	343.054573	180.4
[M+K]+	363.983908	169.8
[M+H-H2O]+	308.018010	155.7
[M+HCOO]-	370.018951	184.1
[M+CH3COO]-	384.034601	207.3
[M+Na-2H]-	345.995416	166.8
[M]+	325.02020142	173.5
[M]-	325.02129858	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe