CID 86117439

4-hydroxy-3-methoxybenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO4S
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)F)O
InChI
InChI=1S/C7H7FO4S/c1-12-7-4-5(13(8,10)11)2-3-6(7)9/h2-4,9H,1H3
InChIKey
KEVQIPNINYKAMP-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00491 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01219 135.8
[M+Na]+ 228.99413 146.0
[M-H]- 204.99763 137.9
[M+NH4]+ 224.03873 154.9
[M+K]+ 244.96807 143.4
[M+H-H2O]+ 189.00217 130.0
[M+HCOO]- 251.00311 152.8
[M+CH3COO]- 265.01876 178.4
[M+Na-2H]- 226.97958 140.3
[M]+ 206.00436 138.8
[M]- 206.00546 138.8
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

No patent data available for this compound.