CID 19577

Mesulfenfos

Structural Information

Molecular Formula

C₁₀H₁₅O₄PS₂

SMILES

CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C

InChI

InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3

InChIKey

DLAPIMGBBDILHJ-UHFFFAOYSA-N

Compound name

dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 10539
Patents: 294.01492 Da
Monoisotopic Mass: 2.7
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]+	295.022196	156.8
[M+Na]+	317.004138	164.4
[M-H]-	293.007644	159.4
[M+NH4]+	312.048743	173.5
[M+K]+	332.978078	161.5
[M+H-H2O]+	277.012180	148.1
[M+HCOO]-	339.013121	174.4
[M+CH3COO]-	353.028771	199.5
[M+Na-2H]-	314.989586	155.1
[M]+	294.01437142	164.5
[M]-	294.01546858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe