CID 116387

Dibutyl chlorothiophosphate

Structural Information

Molecular Formula

C₈H₁₈ClO₂PS

SMILES

CCCCOP(=S)(OCCCC)Cl

InChI

InChI=1S/C8H18ClO2PS/c1-3-5-7-10-12(9,13)11-8-6-4-2/h3-8H2,1-2H3

InChIKey

YQNUVUVGKIVWNY-UHFFFAOYSA-N

Compound name

dibutoxy-chloro-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 244.04536 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]+	245.05264	152.3
[M+Na]+	267.03458	159.5
[M-H]-	243.03808	151.6
[M+NH4]+	262.07918	172.1
[M+K]+	283.00852	156.2
[M+H-H2O]+	227.04262	146.0
[M+HCOO]-	289.04356	170.3
[M+CH3COO]-	303.05921	191.3
[M+Na-2H]-	265.02003	152.0
[M]+	244.04481	161.2
[M]-	244.04591	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe