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

0
Patents

183.99944 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.006716 140.2
[M+Na]+ 206.988658 152.5
[M-H]- 182.992164 142.6
[M+NH4]+ 202.033263 158.6
[M+K]+ 222.962598 148.5
[M+H-H2O]+ 166.996700 128.6
[M+HCOO]- 228.997641 152.8
[M+CH3COO]- 243.013291 185.6
[M+Na-2H]- 204.974106 143.6
[M]+ 183.99889142 136.1
[M]- 183.99998858 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