CID 65249420

3-cyano-3,3-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H10ClNO2S
SMILES
CC(C)(CCS(=O)(=O)Cl)C#N
InChI
InChI=1S/C6H10ClNO2S/c1-6(2,5-8)3-4-11(7,9)10/h3-4H2,1-2H3
InChIKey
NIWGOGWEGOXBHW-UHFFFAOYSA-N
Compound name
3-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 136.6
[M+Na]+ 218.00130 146.0
[M+NH4]+ 213.04590 140.6
[M+K]+ 233.97524 137.4
[M-H]- 194.00480 127.8
[M+Na-2H]- 215.98675 137.4
[M]+ 195.01153 135.2
[M]- 195.01263 135.2
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.