CID 522108

1,3-bis(2-chloroethylthio)propane

Structural Information

Molecular Formula
C7H14Cl2S2
SMILES
C(CSCCCl)CSCCCl
InChI
InChI=1S/C7H14Cl2S2/c8-2-6-10-4-1-5-11-7-3-9/h1-7H2
InChIKey
YHRGRBPJIRKFND-UHFFFAOYSA-N
Compound name
1,3-bis(2-chloroethylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

231.9914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99868 142.5
[M+Na]+ 254.98062 149.7
[M-H]- 230.98412 142.3
[M+NH4]+ 250.02522 162.4
[M+K]+ 270.95456 143.8
[M+H-H2O]+ 214.98866 139.5
[M+HCOO]- 276.98960 145.2
[M+CH3COO]- 291.00525 187.7
[M+Na-2H]- 252.96607 141.9
[M]+ 231.99085 148.6
[M]- 231.99195 148.6
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

No patent data available for this compound.