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

218
Patents

190.01 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01728 132.5
[M+Na]+ 212.99922 142.9
[M-H]- 189.00272 134.6
[M+NH4]+ 208.04382 152.3
[M+K]+ 228.97316 139.8
[M+H-H2O]+ 173.00726 127.0
[M+HCOO]- 235.00820 149.3
[M+CH3COO]- 249.02385 176.3
[M+Na-2H]- 210.98467 136.8
[M]+ 190.00945 134.0
[M]- 190.01055 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