CID 46886

4-fluorobenzenesulfonic acid

Structural Information

Molecular Formula
C6H5FO3S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)O
InChI
InChI=1S/C6H5FO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
WVSYONICNIDYBE-UHFFFAOYSA-N
Compound name
4-fluorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2664
Patents

175.99434 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00162 132.9
[M+Na]+ 198.98356 143.9
[M+NH4]+ 194.02816 140.2
[M+K]+ 214.95750 137.6
[M-H]- 174.98706 131.9
[M+Na-2H]- 196.96901 138.0
[M]+ 175.99379 134.5
[M]- 175.99489 134.5
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

patents stripe