CID 2761065

828270-62-8

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CC1=C(C=CC(=C1)F)S(=O)(=O)C
InChI
InChI=1S/C8H9FO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3
InChIKey
XTECWKSRQPLXSE-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-1-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

188.03073 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 138.8
[M+Na]+ 211.01995 150.8
[M+NH4]+ 206.06455 146.7
[M+K]+ 226.99389 143.4
[M-H]- 187.02345 138.8
[M+Na-2H]- 209.00540 144.2
[M]+ 188.03018 141.0
[M]- 188.03128 141.0
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