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

53
Patents

151.96988 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.97716 130.1
[M+Na]+ 174.95910 142.2
[M-H]- 150.96260 131.5
[M+NH4]+ 170.00370 150.7
[M+K]+ 190.93304 139.2
[M+H-H2O]+ 134.96714 121.5
[M+HCOO]- 196.96808 139.4
[M+CH3COO]- 210.98373 179.2
[M+Na-2H]- 172.94455 134.1
[M]+ 151.96933 129.3
[M]- 151.97043 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