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]+ 185.00672 141.7
[M+Na]+ 206.98866 153.4
[M-H]- 182.99216 143.8
[M+NH4]+ 202.03326 160.1
[M+K]+ 222.96260 149.4
[M+H-H2O]+ 166.99670 129.9
[M+HCOO]- 228.99764 154.4
[M+CH3COO]- 243.01329 183.4
[M+Na-2H]- 204.97411 145.6
[M]+ 183.99889 137.1
[M]- 183.99999 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.