CID 421250

369-51-7

Structural Information

Molecular Formula
C6H5FO2S
SMILES
C1=CC(=CC=C1F)S(=O)O
InChI
InChI=1S/C6H5FO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
InChIKey
SEEUPVOHHNMWEG-UHFFFAOYSA-N
Compound name
4-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

159.99944 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00672 128.1
[M+Na]+ 182.98866 139.5
[M+NH4]+ 178.03326 136.3
[M+K]+ 198.96260 132.5
[M-H]- 158.99216 128.3
[M+Na-2H]- 180.97411 133.6
[M]+ 159.99889 130.0
[M]- 159.99999 130.0
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