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 142.8
[M+Na]+ 218.00130 152.9
[M-H]- 194.00480 144.9
[M+NH4]+ 213.04590 161.8
[M+K]+ 233.97524 151.0
[M+H-H2O]+ 178.00934 133.1
[M+HCOO]- 240.01028 151.7
[M+CH3COO]- 254.02593 192.6
[M+Na-2H]- 215.98675 144.4
[M]+ 195.01153 142.3
[M]- 195.01263 142.3
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.