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]+ 207.012186 135.8
[M+Na]+ 228.994128 146.0
[M-H]- 204.997634 137.9
[M+NH4]+ 224.038733 154.9
[M+K]+ 244.968068 143.4
[M+H-H2O]+ 189.002170 130.0
[M+HCOO]- 251.003111 152.8
[M+CH3COO]- 265.018761 178.4
[M+Na-2H]- 226.979576 140.3
[M]+ 206.00436142 138.8
[M]- 206.00545858 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.