CID 80128

Sodium o,o-dicyclohexyl dithiophosphate

Structural Information

Molecular Formula

C₁₂H₂₃O₂PS₂

SMILES

C1CCC(CC1)OP(=S)(OC2CCCCC2)S

InChI

InChI=1S/C12H23O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)

InChIKey

IWHTZOQGVGHYQT-UHFFFAOYSA-N

Compound name

dicyclohexyloxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 223
Patents: 294.0877 Da
Monoisotopic Mass: 5.3
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]+	295.09498	161.0
[M+Na]+	317.07692	162.4
[M-H]-	293.08042	163.8
[M+NH4]+	312.12152	176.8
[M+K]+	333.05086	159.2
[M+H-H2O]+	277.08496	151.9
[M+HCOO]-	339.08590	172.1
[M+CH3COO]-	353.10155	197.1
[M+Na-2H]-	315.06237	157.5
[M]+	294.08715	156.8
[M]-	294.08825	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe