CID 10109

Bis(2-chloroethyl) sulfone

Structural Information

Molecular Formula
C4H8Cl2O2S
SMILES
C(CCl)S(=O)(=O)CCCl
InChI
InChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2
InChIKey
LUYAMNYBNTVQJG-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethylsulfonyl)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1341
Patents

189.9622 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96948 132.1
[M+Na]+ 212.95142 141.7
[M-H]- 188.95492 132.8
[M+NH4]+ 207.99602 153.6
[M+K]+ 228.92536 137.6
[M+H-H2O]+ 172.95946 130.0
[M+HCOO]- 234.96040 140.9
[M+CH3COO]- 248.97605 176.4
[M+Na-2H]- 210.93687 136.1
[M]+ 189.96165 137.8
[M]- 189.96275 137.8
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