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]+ 189.038006 134.3
[M+Na]+ 211.019948 142.6
[M-H]- 187.023454 135.7
[M+NH4]+ 206.064553 153.9
[M+K]+ 226.993888 139.4
[M+H-H2O]+ 171.027990 128.0
[M+HCOO]- 233.028931 150.9
[M+CH3COO]- 247.044581 177.4
[M+Na-2H]- 209.005396 136.8
[M]+ 188.03018142 134.9
[M]- 188.03127858 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