CID 55280164

Hex-5-yne-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO2S
SMILES
C#CCCCCS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO2S/c1-2-3-4-5-6-10(7,8)9/h1H,3-6H2
InChIKey
VYNDGSIDPUZLRH-UHFFFAOYSA-N
Compound name
hex-5-yne-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00845 130.0
[M+Na]+ 202.99039 140.4
[M+NH4]+ 198.03499 134.4
[M+K]+ 218.96433 130.7
[M-H]- 178.99389 121.1
[M+Na-2H]- 200.97584 130.9
[M]+ 180.00062 128.7
[M]- 180.00172 128.7
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.