CID 67842

383-29-9

Structural Information

Molecular Formula
C12H8F2O2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey
PLVUIVUKKJTSDM-UHFFFAOYSA-N
Compound name
1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

4472
Patents

254.0213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02858 148.8
[M+Na]+ 277.01052 159.4
[M-H]- 253.01402 153.9
[M+NH4]+ 272.05512 166.5
[M+K]+ 292.98446 154.4
[M+H-H2O]+ 237.01856 140.6
[M+HCOO]- 299.01950 165.9
[M+CH3COO]- 313.03515 190.3
[M+Na-2H]- 274.99597 153.0
[M]+ 254.02075 149.1
[M]- 254.02185 149.1
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.