CID 145421196

3-ethynylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H5FO2S
SMILES
C#CC1=CC(=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C8H5FO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H
InChIKey
UZHIMCHDLONTFD-UHFFFAOYSA-N
Compound name
3-ethynylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.99944 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00672 140.2
[M+Na]+ 206.98866 152.5
[M-H]- 182.99216 142.6
[M+NH4]+ 202.03326 158.6
[M+K]+ 222.96260 148.5
[M+H-H2O]+ 166.99670 128.6
[M+HCOO]- 228.99764 152.8
[M+CH3COO]- 243.01329 185.6
[M+Na-2H]- 204.97411 143.6
[M]+ 183.99889 136.1
[M]- 183.99999 136.1
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