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 134.3
[M+Na]+ 211.01995 142.6
[M-H]- 187.02345 135.7
[M+NH4]+ 206.06455 153.9
[M+K]+ 226.99389 139.4
[M+H-H2O]+ 171.02799 128.0
[M+HCOO]- 233.02893 150.9
[M+CH3COO]- 247.04458 177.4
[M+Na-2H]- 209.00540 136.8
[M]+ 188.03018 134.9
[M]- 188.03128 134.9
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