CID 3502251

477334-49-9

Structural Information

Molecular Formula
C15H12F2O3S
SMILES
C1=CC(=CC=C1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C15H12F2O3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKey
HTBJZJYVRVLFJT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.04752 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05480 164.9
[M+Na]+ 333.03674 173.7
[M-H]- 309.04024 169.3
[M+NH4]+ 328.08134 179.9
[M+K]+ 349.01068 168.6
[M+H-H2O]+ 293.04478 155.9
[M+HCOO]- 355.04572 180.2
[M+CH3COO]- 369.06137 201.3
[M+Na-2H]- 331.02219 166.6
[M]+ 310.04697 166.2
[M]- 310.04807 166.2
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.