CID 71814

Fluoresone

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C8H9FO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
PRNNIHPVNFPWAH-UHFFFAOYSA-N
Compound name
1-ethylsulfonyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2439
Patents

188.03073 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 138.5
[M+Na]+ 211.01995 150.2
[M+NH4]+ 206.06455 146.4
[M+K]+ 226.99389 142.5
[M-H]- 187.02345 138.5
[M+Na-2H]- 209.00540 144.1
[M]+ 188.03018 140.6
[M]- 188.03128 140.6
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