CID 67994

4-fluorophenyl methyl sulfone

Structural Information

Molecular Formula
C7H7FO2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
DPJHZJGAGIWXTD-UHFFFAOYSA-N
Compound name
1-fluoro-4-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1429
Patents

174.01508 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02236 134.1
[M+Na]+ 197.00430 146.0
[M+NH4]+ 192.04890 142.2
[M+K]+ 212.97824 138.6
[M-H]- 173.00780 134.1
[M+Na-2H]- 194.98975 140.0
[M]+ 174.01453 136.2
[M]- 174.01563 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe