CID 79347

5390-61-4

Structural Information

Molecular Formula

C₃H₇Cl₂PS₂

SMILES

CCCSP(=S)(Cl)Cl

InChI

InChI=1S/C3H7Cl2PS2/c1-2-3-8-6(4,5)7/h2-3H2,1H3

InChIKey

LYNQYRBGWINIFJ-UHFFFAOYSA-N

Compound name

dichloro-propylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 207.91039 Da
Monoisotopic Mass: 4.0
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]+	208.91767	130.1
[M+Na]+	230.89961	139.3
[M-H]-	206.90311	130.1
[M+NH4]+	225.94421	151.7
[M+K]+	246.87355	133.9
[M+H-H2O]+	190.90765	125.7
[M+HCOO]-	252.90859	138.7
[M+CH3COO]-	266.92424	182.2
[M+Na-2H]-	228.88506	129.1
[M]+	207.90984	134.9
[M]-	207.91094	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe