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 156.0
[M+Na]+ 274.98185 165.7
[M+NH4]+ 270.02645 162.0
[M+K]+ 290.95579 158.3
[M-H]- 250.98535 153.9
[M+Na-2H]- 272.96730 158.9
[M]+ 251.99208 157.6
[M]- 251.99318 157.6
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

No patent data available for this compound.