CID 16116364

But-3-yne-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClO2S
SMILES
C#CCCS(=O)(=O)Cl
InChI
InChI=1S/C4H5ClO2S/c1-2-3-4-8(5,6)7/h1H,3-4H2
InChIKey
DWRHSVMNAYQMBM-UHFFFAOYSA-N
Compound name
but-3-yne-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

151.96988 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.977156 130.1
[M+Na]+ 174.959098 142.2
[M-H]- 150.962604 131.5
[M+NH4]+ 170.003703 150.7
[M+K]+ 190.933038 139.2
[M+H-H2O]+ 134.967140 121.5
[M+HCOO]- 196.968081 139.4
[M+CH3COO]- 210.983731 179.2
[M+Na-2H]- 172.944546 134.1
[M]+ 151.96933142 129.3
[M]- 151.97042858 129.3
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

patents stripe