CID 3346

Fenthion

Structural Information

Molecular Formula

C₁₀H₁₅O₃PS₂

SMILES

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

InChI

InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3

InChIKey

PNVJTZOFSHSLTO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 421
References: 38902
Patents: 278.02002 Da
Monoisotopic Mass: 4.1
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]+	279.027296	154.4
[M+Na]+	301.009238	162.5
[M-H]-	277.012744	157.1
[M+NH4]+	296.053843	172.1
[M+K]+	316.983178	159.2
[M+H-H2O]+	261.017280	145.8
[M+HCOO]-	323.018221	172.8
[M+CH3COO]-	337.033871	197.6
[M+Na-2H]-	298.994686	153.2
[M]+	278.01947142	162.0
[M]-	278.02056858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe