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]+ 213.071056 142.4
[M+Na]+ 235.052998 149.5
[M-H]- 211.056504 143.2
[M+NH4]+ 230.097603 162.6
[M+K]+ 251.026938 147.2
[M+H-H2O]+ 195.061040 139.1
[M+HCOO]- 257.061981 152.0
[M+CH3COO]- 271.077631 186.0
[M+Na-2H]- 233.038446 142.2
[M]+ 212.06323142 147.5
[M]- 212.06432858 147.5
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.