CID 130687115

Phenylethynesulfonyl fluoride

Structural Information

Molecular Formula
C8H5FO2S
SMILES
C1=CC=C(C=C1)C#CS(=O)(=O)F
InChI
InChI=1S/C8H5FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H
InChIKey
TUWFTGFTYXBVHZ-UHFFFAOYSA-N
Compound name
2-phenylethynesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.99944 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.006716 141.7
[M+Na]+ 206.988658 153.4
[M-H]- 182.992164 143.8
[M+NH4]+ 202.033263 160.1
[M+K]+ 222.962598 149.4
[M+H-H2O]+ 166.996700 129.9
[M+HCOO]- 228.997641 154.4
[M+CH3COO]- 243.013291 183.4
[M+Na-2H]- 204.974106 145.6
[M]+ 183.99889142 137.1
[M]- 183.99998858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.