CID 16079185

Fluorobis(phenylsulfonyl)methane

Structural Information

Molecular Formula
C13H11FO4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C(F)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H11FO4S2/c14-13(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10,13H
InChIKey
TUZGMBZILYZZRU-UHFFFAOYSA-N
Compound name
[benzenesulfonyl(fluoro)methyl]sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

46
Patents

314.00827 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.01555 166.7
[M+Na]+ 336.99749 174.7
[M-H]- 313.00099 171.7
[M+NH4]+ 332.04209 181.0
[M+K]+ 352.97143 169.4
[M+H-H2O]+ 297.00553 159.0
[M+HCOO]- 359.00647 177.2
[M+CH3COO]- 373.02212 196.7
[M+Na-2H]- 334.98294 170.7
[M]+ 314.00772 168.5
[M]- 314.00882 168.5
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