CID 137951404

3-cyclopropylprop-2-yne-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClO2S
SMILES
C1CC1C#CCS(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO2S/c7-10(8,9)5-1-2-6-3-4-6/h6H,3-5H2
InChIKey
KYVGBFFULVVRBN-UHFFFAOYSA-N
Compound name
3-cyclopropylprop-2-yne-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.98553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.99281 132.4
[M+Na]+ 200.97475 144.1
[M+NH4]+ 196.01935 137.8
[M+K]+ 216.94869 136.0
[M-H]- 176.97825 131.2
[M+Na-2H]- 198.96020 136.5
[M]+ 177.98498 134.5
[M]- 177.98608 134.5
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

No patent data available for this compound.