CID 86125856

3-(hydroxymethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H7FO3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)CO
InChI
InChI=1S/C7H7FO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
IFZQUNIVKIALDN-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.01 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.017276 133.3
[M+Na]+ 212.999218 142.9
[M-H]- 189.002724 135.1
[M+NH4]+ 208.043823 152.9
[M+K]+ 228.973158 139.7
[M+H-H2O]+ 173.007260 127.5
[M+HCOO]- 235.008201 150.2
[M+CH3COO]- 249.023851 175.1
[M+Na-2H]- 210.984666 138.2
[M]+ 190.00945142 134.4
[M]- 190.01054858 134.4
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.