CID 16128842

2-fluoro-4-methylsulfonylphenol

Structural Information

Molecular Formula
C7H7FO3S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)O)F
InChI
InChI=1S/C7H7FO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
OVEMQCGVMRIIHW-UHFFFAOYSA-N
Compound name
2-fluoro-4-methylsulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

190.01 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.017276 132.5
[M+Na]+ 212.999218 142.9
[M-H]- 189.002724 134.6
[M+NH4]+ 208.043823 152.3
[M+K]+ 228.973158 139.8
[M+H-H2O]+ 173.007260 127.0
[M+HCOO]- 235.008201 149.3
[M+CH3COO]- 249.023851 176.3
[M+Na-2H]- 210.984666 136.8
[M]+ 190.00945142 134.0
[M]- 190.01054858 134.0
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

patents stripe