CID 3048383

Propane, 1,2-bis((2-chloroethyl)thio)-

Structural Information

Molecular Formula
C7H14Cl2S2
SMILES
CC(CSCCCl)SCCCl
InChI
InChI=1S/C7H14Cl2S2/c1-7(11-5-3-9)6-10-4-2-8/h7H,2-6H2,1H3
InChIKey
DPROAIOXNOFXLZ-UHFFFAOYSA-N
Compound name
1,2-bis(2-chloroethylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.4
[M+Na]+ 254.98062 149.3
[M-H]- 230.98412 142.3
[M+NH4]+ 250.02522 162.2
[M+K]+ 270.95456 143.8
[M+H-H2O]+ 214.98866 139.5
[M+HCOO]- 276.98960 144.1
[M+CH3COO]- 291.00525 188.4
[M+Na-2H]- 252.96607 140.9
[M]+ 231.99085 148.0
[M]- 231.99195 148.0
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.