CID 2060957

2-chloroethyl octyl sulfone

Structural Information

Molecular Formula
C10H21ClO2S
SMILES
CCCCCCCCS(=O)(=O)CCCl
InChI
InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-9-14(12,13)10-8-11/h2-10H2,1H3
InChIKey
FROTZJPMAKCYCF-UHFFFAOYSA-N
Compound name
1-(2-chloroethylsulfonyl)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09508 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10236 153.6
[M+Na]+ 263.08430 160.6
[M-H]- 239.08780 153.7
[M+NH4]+ 258.12890 172.9
[M+K]+ 279.05824 156.3
[M+H-H2O]+ 223.09234 149.5
[M+HCOO]- 285.09328 165.5
[M+CH3COO]- 299.10893 189.5
[M+Na-2H]- 261.06975 155.4
[M]+ 240.09453 161.1
[M]- 240.09563 161.1
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

No patent data available for this compound.