CID 200832

Phenylphosphonodithious acid dibutyl ester

Structural Information

Molecular Formula

C₁₄H₂₃PS₂

SMILES

CCCCSP(C1=CC=CC=C1)SCCCC

InChI

InChI=1S/C14H23PS2/c1-3-5-12-16-15(17-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

InChIKey

OHDSYKQHWOTQDQ-UHFFFAOYSA-N

Compound name

bis(butylsulfanyl)-phenylphosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.09787 Da
Monoisotopic Mass: 4.9
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]+	287.10515	161.0
[M+Na]+	309.08709	165.7
[M-H]-	285.09059	162.3
[M+NH4]+	304.13169	178.1
[M+K]+	325.06103	160.6
[M+H-H2O]+	269.09513	151.5
[M+HCOO]-	331.09607	177.7
[M+CH3COO]-	345.11172	202.6
[M+Na-2H]-	307.07254	156.5
[M]+	286.09732	165.9
[M]-	286.09842	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe