CID 104693

Benzenesulfonic acid, 3-formyl-, potassium salt

Structural Information

Molecular Formula
C7H6O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)C=O
InChI
InChI=1S/C7H6O4S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-5H,(H,9,10,11)
InChIKey
MRXZEDMLQMDMGB-UHFFFAOYSA-N
Compound name
3-formylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

185.99867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00595 136.1
[M+Na]+ 208.98789 147.5
[M+NH4]+ 204.03249 143.2
[M+K]+ 224.96183 141.4
[M-H]- 184.99139 135.9
[M+Na-2H]- 206.97334 141.3
[M]+ 185.99812 138.0
[M]- 185.99922 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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