CID 138039629

2-cyano-3-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClNO2S
SMILES
CC(C)C(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C6H10ClNO2S/c1-5(2)6(3-8)4-11(7,9)10/h5-6H,4H2,1-2H3
InChIKey
VLQREVGGCJMYIH-UHFFFAOYSA-N
Compound name
2-cyano-3-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01936 134.2
[M+Na]+ 218.00130 143.3
[M+NH4]+ 213.04590 138.2
[M+K]+ 233.97524 135.1
[M-H]- 194.00480 125.5
[M+Na-2H]- 215.98675 134.7
[M]+ 195.01153 132.7
[M]- 195.01263 132.7
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.