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]+ 165.038006 133.1
[M+Na]+ 187.019948 143.5
[M-H]- 163.023454 132.7
[M+NH4]+ 182.064553 152.3
[M+K]+ 202.993888 141.7
[M+H-H2O]+ 147.027990 122.2
[M+HCOO]- 209.028931 144.9
[M+CH3COO]- 223.044581 183.5
[M+Na-2H]- 185.005396 136.1
[M]+ 164.03018142 130.4
[M]- 164.03127858 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.