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 142.4
[M+Na]+ 235.05300 149.5
[M-H]- 211.05650 143.2
[M+NH4]+ 230.09760 162.6
[M+K]+ 251.02694 147.2
[M+H-H2O]+ 195.06104 139.1
[M+HCOO]- 257.06198 152.0
[M+CH3COO]- 271.07763 186.0
[M+Na-2H]- 233.03845 142.2
[M]+ 212.06323 147.5
[M]- 212.06433 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.