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

4876
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

literature stripe

Patent stripe

patents stripe