CID 12933327

3-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO2S
SMILES
CC(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO2S/c1-5(2)3-4-9(6,7)8/h5H,3-4H2,1-2H3
InChIKey
CAOXTJCSAJIUGW-UHFFFAOYSA-N
Compound name
3-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

170.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02411 135.0
[M+Na]+ 193.00605 145.2
[M+NH4]+ 188.05065 143.0
[M+K]+ 208.97999 138.5
[M-H]- 169.00955 133.5
[M+Na-2H]- 190.99150 137.6
[M]+ 170.01628 136.6
[M]- 170.01738 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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