CID 165906148

Hex-5-yne-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H9FO2S
SMILES
C#CCCCCS(=O)(=O)F
InChI
InChI=1S/C6H9FO2S/c1-2-3-4-5-6-10(7,8)9/h1H,3-6H2
InChIKey
NYYBFMJRMTVMJG-UHFFFAOYSA-N
Compound name
hex-5-yne-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03801 133.1
[M+Na]+ 187.01995 143.5
[M-H]- 163.02345 132.7
[M+NH4]+ 182.06455 152.3
[M+K]+ 202.99389 141.7
[M+H-H2O]+ 147.02799 122.2
[M+HCOO]- 209.02893 144.9
[M+CH3COO]- 223.04458 183.5
[M+Na-2H]- 185.00540 136.1
[M]+ 164.03018 130.4
[M]- 164.03128 130.4
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.