CID 2778243

1-fluoro-2-methanesulfonylbenzene

Structural Information

Molecular Formula
C7H7FO2S
SMILES
CS(=O)(=O)C1=CC=CC=C1F
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
DRQGZMZPKOYPKW-UHFFFAOYSA-N
Compound name
1-fluoro-2-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

548
Patents

174.01508 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02236 129.2
[M+Na]+ 197.00430 139.4
[M-H]- 173.00780 132.5
[M+NH4]+ 192.04890 150.3
[M+K]+ 212.97824 136.8
[M+H-H2O]+ 157.01234 123.5
[M+HCOO]- 219.01328 147.4
[M+CH3COO]- 233.02893 175.7
[M+Na-2H]- 194.98975 134.5
[M]+ 174.01453 130.8
[M]- 174.01563 130.8
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