CID 81666

H-1tg

Structural Information

Molecular Formula
C8H18ClO2S2
SMILES
C(C[S+](CCO)CCSCCCl)O
InChI
InChI=1S/C8H18ClO2S2/c9-1-4-12-5-8-13(6-2-10)7-3-11/h10-11H,1-8H2/q+1
InChIKey
OFNJBATUOFAUIJ-UHFFFAOYSA-N
Compound name
2-(2-chloroethylsulfanyl)ethyl-bis(2-hydroxyethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04367 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05095 145.3
[M+Na]+ 268.03289 150.2
[M-H]- 244.03639 142.4
[M+NH4]+ 263.07749 162.3
[M+K]+ 284.00683 139.4
[M+H-H2O]+ 228.04093 144.1
[M+HCOO]- 290.04187 148.9
[M+CH3COO]- 304.05752 178.7
[M+Na-2H]- 266.01834 145.9
[M]+ 245.04312 148.1
[M]- 245.04422 148.1
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.