CID 165457985

(4-ethyloxan-4-yl)methanesulfonylchloride

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
CCC1(CCOCC1)CS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO3S/c1-2-8(7-13(9,10)11)3-5-12-6-4-8/h2-7H2,1H3
InChIKey
RWZWWPCVDGJIPK-UHFFFAOYSA-N
Compound name
(4-ethyloxan-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04305 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05033 143.7
[M+Na]+ 249.03227 150.7
[M-H]- 225.03577 147.7
[M+NH4]+ 244.07687 163.8
[M+K]+ 265.00621 149.1
[M+H-H2O]+ 209.04031 140.5
[M+HCOO]- 271.04125 153.3
[M+CH3COO]- 285.05690 181.4
[M+Na-2H]- 247.01772 149.3
[M]+ 226.04250 146.4
[M]- 226.04360 146.4
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.