CID 126970893

(6,6-dimethyloxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
CC1(CCCC(O1)CS(=O)(=O)Cl)C
InChI
InChI=1S/C8H15ClO3S/c1-8(2)5-3-4-7(12-8)6-13(9,10)11/h7H,3-6H2,1-2H3
InChIKey
OSVQXXNDTJPXDR-UHFFFAOYSA-N
Compound name
(6,6-dimethyloxan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05033 142.6
[M+Na]+ 249.03227 150.5
[M-H]- 225.03577 147.0
[M+NH4]+ 244.07687 163.0
[M+K]+ 265.00621 148.9
[M+H-H2O]+ 209.04031 139.7
[M+HCOO]- 271.04125 152.2
[M+CH3COO]- 285.05690 182.6
[M+Na-2H]- 247.01772 147.7
[M]+ 226.04250 145.7
[M]- 226.04360 145.7
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.