CID 71757988

2-cyano-2,2-dimethylethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClNO2S
SMILES
CC(C)(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C5H8ClNO2S/c1-5(2,3-7)4-10(6,8)9/h4H2,1-2H3
InChIKey
DOPCRGLDAAXZDQ-UHFFFAOYSA-N
Compound name
2-cyano-2-methylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

180.99643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00371 141.8
[M+Na]+ 203.98565 152.9
[M-H]- 179.98915 144.3
[M+NH4]+ 199.03025 161.5
[M+K]+ 219.95959 151.0
[M+H-H2O]+ 163.99369 132.5
[M+HCOO]- 225.99463 151.4
[M+CH3COO]- 240.01028 188.8
[M+Na-2H]- 201.97110 146.3
[M]+ 180.99588 141.5
[M]- 180.99698 141.5
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

patents stripe