CID 96198

34492-32-5

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.89421 148.2
[M+Na]+ 295.87615 156.0
[M-H]- 271.87965 147.1
[M+NH4]+ 290.92075 166.7
[M+K]+ 311.85009 151.0
[M+H-H2O]+ 255.88419 144.8
[M+HCOO]- 317.88513 152.2
[M+CH3COO]- 331.90078 199.4
[M+Na-2H]- 293.86160 146.7
[M]+ 272.88638 152.2
[M]- 272.88748 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe