CID 583951

Chloromethylphosphonothioic dichloride

Structural Information

Molecular Formula
CH2Cl3PS
SMILES
C(P(=S)(Cl)Cl)Cl
InChI
InChI=1S/CH2Cl3PS/c2-1-5(3,4)6/h1H2
InChIKey
HRHKZXIMFUYRDS-UHFFFAOYSA-N
Compound name
dichloro-(chloromethyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

181.86804 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.87532 123.9
[M+Na]+ 204.85726 134.3
[M-H]- 180.86076 123.4
[M+NH4]+ 199.90186 146.3
[M+K]+ 220.83120 129.4
[M+H-H2O]+ 164.86530 121.1
[M+HCOO]- 226.86624 133.1
[M+CH3COO]- 240.88189 177.3
[M+Na-2H]- 202.84271 125.3
[M]+ 181.86749 127.5
[M]- 181.86859 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe