CID 18668733

2138213-62-2

Structural Information

Molecular Formula
C8H9FO2S
SMILES
C1=CC(=CC=C1CCS(=O)O)F
InChI
InChI=1S/C8H9FO2S/c9-8-3-1-7(2-4-8)5-6-12(10)11/h1-4H,5-6H2,(H,10,11)
InChIKey
JFSFGNIZERZBLW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03073 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 136.8
[M+Na]+ 211.01995 147.9
[M+NH4]+ 206.06455 144.8
[M+K]+ 226.99389 140.4
[M-H]- 187.02345 136.9
[M+Na-2H]- 209.00540 141.9
[M]+ 188.03018 138.7
[M]- 188.03128 138.7
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

No patent data available for this compound.