CID 155822822

2567498-81-9

Structural Information

Molecular Formula
C8H17ClO3S
SMILES
CC(C)(C)CC(CS(=O)(=O)Cl)OC
InChI
InChI=1S/C8H17ClO3S/c1-8(2,3)5-7(12-4)6-13(9,10)11/h7H,5-6H2,1-4H3
InChIKey
DOEXFQFYBNGMFH-UHFFFAOYSA-N
Compound name
2-methoxy-4,4-dimethylpentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06598 147.0
[M+Na]+ 251.04792 154.9
[M-H]- 227.05142 147.9
[M+NH4]+ 246.09252 166.8
[M+K]+ 267.02186 152.6
[M+H-H2O]+ 211.05596 143.9
[M+HCOO]- 273.05690 157.4
[M+CH3COO]- 287.07255 186.0
[M+Na-2H]- 249.03337 150.0
[M]+ 228.05815 154.1
[M]- 228.05925 154.1
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.