CID 83639759

3-methyl-2-(propan-2-yl)butane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H17ClO2S
SMILES
CC(C)C(CS(=O)(=O)Cl)C(C)C
InChI
InChI=1S/C8H17ClO2S/c1-6(2)8(7(3)4)5-12(9,10)11/h6-8H,5H2,1-4H3
InChIKey
GAILVXKFYIPZBE-UHFFFAOYSA-N
Compound name
3-methyl-2-propan-2-ylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07106 147.8
[M+Na]+ 235.05300 156.7
[M+NH4]+ 230.09760 155.0
[M+K]+ 251.02694 150.9
[M-H]- 211.05650 145.7
[M+Na-2H]- 233.03845 149.1
[M]+ 212.06323 149.0
[M]- 212.06433 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.