CID 25355

Terbufos sulfoxide

Structural Information

Molecular Formula

C₉H₂₁O₃PS₃

SMILES

CCOP(=S)(OCC)SCS(=O)C(C)(C)C

InChI

InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3

InChIKey

KKOYBOFPUBHPFO-UHFFFAOYSA-N

Compound name

tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 39
Patents: 304.03903 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]+	305.046306	164.0
[M+Na]+	327.028248	168.6
[M-H]-	303.031754	161.6
[M+NH4]+	322.072853	179.4
[M+K]+	343.002188	164.0
[M+H-H2O]+	287.036290	155.1
[M+HCOO]-	349.037231	172.5
[M+CH3COO]-	363.052881	201.8
[M+Na-2H]-	325.013696	161.1
[M]+	304.03848142	169.4
[M]-	304.03957858	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe