CID 2761413

2-fluorobenzylmethylsulfone

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CS(=O)(=O)CC1=CC=CC=C1F
InChI
InChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKey
MHDGOXPEXQDBPW-UHFFFAOYSA-N
Compound name
1-fluoro-2-(methylsulfonylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

188.03073 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe