CID 421250

Sodium 4-fluorobenzene sulfinate

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

423
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 125.1
[M+Na]+ 182.98866 134.4
[M-H]- 158.99216 126.9
[M+NH4]+ 178.03326 145.9
[M+K]+ 198.96260 131.7
[M+H-H2O]+ 142.99670 119.3
[M+HCOO]- 204.99764 142.4
[M+CH3COO]- 219.01329 171.4
[M+Na-2H]- 180.97411 128.7
[M]+ 159.99889 125.1
[M]- 159.99999 125.1
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

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