CID 25670

Terbufos

Structural Information

Molecular Formula

C₉H₂₁O₂PS₃

SMILES

CCOP(=S)(OCC)SCSC(C)(C)C

InChI

InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3

InChIKey

XLNZEKHULJKQBA-UHFFFAOYSA-N

Compound name

tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 117
References: 36499
Patents: 288.04413 Da
Monoisotopic Mass: 4.5
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]+	289.05141	161.3
[M+Na]+	311.03335	166.4
[M-H]-	287.03685	159.0
[M+NH4]+	306.07795	177.7
[M+K]+	327.00729	161.5
[M+H-H2O]+	271.04139	152.4
[M+HCOO]-	333.04233	170.5
[M+CH3COO]-	347.05798	200.2
[M+Na-2H]-	309.01880	158.6
[M]+	288.04358	166.6
[M]-	288.04468	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe