CID 96198

Adl 4

Structural Information

Molecular Formula

C₄H₈Cl₄NPS

SMILES

C(CCl)N(CCCl)P(=S)(Cl)Cl

InChI

InChI=1S/C4H8Cl4NPS/c5-1-3-9(4-2-6)10(7,8)11/h1-4H2

InChIKey

YFQYNWHYRNQAFY-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-dichlorophosphinothioylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 272.88693 Da
Monoisotopic Mass: 4.1
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]+	273.89421	159.6
[M+Na]+	295.87615	169.8
[M+NH4]+	290.92075	167.4
[M+K]+	311.85009	161.0
[M-H]-	271.87965	158.6
[M+Na-2H]-	293.86160	162.1
[M]+	272.88638	162.0
[M]-	272.88748	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe