CID 83709845

3-(oxan-4-yl)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
C1COCCC1CCCS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO3S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h8H,1-7H2
InChIKey
PZOPEGDOQPYUSC-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)propane-1-sulfonyl 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 145.5
[M+Na]+ 249.03227 151.8
[M-H]- 225.03577 149.2
[M+NH4]+ 244.07687 163.6
[M+K]+ 265.00621 149.7
[M+H-H2O]+ 209.04031 141.2
[M+HCOO]- 271.04125 155.1
[M+CH3COO]- 285.05690 181.9
[M+Na-2H]- 247.01772 149.4
[M]+ 226.04250 147.7
[M]- 226.04360 147.7
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.