CID 45791866

1-fluoro-2,4-dimethanesulfonylbenzene

Structural Information

Molecular Formula
C8H9FO4S2
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)F)S(=O)(=O)C
InChI
InChI=1S/C8H9FO4S2/c1-14(10,11)6-3-4-7(9)8(5-6)15(2,12)13/h3-5H,1-2H3
InChIKey
QVDXQKUCAQANJT-UHFFFAOYSA-N
Compound name
1-fluoro-2,4-bis(methylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.99263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99991 147.7
[M+Na]+ 274.98185 158.0
[M-H]- 250.98535 150.6
[M+NH4]+ 270.02645 165.4
[M+K]+ 290.95579 153.7
[M+H-H2O]+ 234.98989 141.6
[M+HCOO]- 296.99083 158.9
[M+CH3COO]- 311.00648 187.6
[M+Na-2H]- 272.96730 150.9
[M]+ 251.99208 151.4
[M]- 251.99318 151.4
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

No patent data available for this compound.