CID 3429515

868256-21-7

Structural Information

Molecular Formula
C21H17FO3S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H17FO3S/c22-19-10-12-20(13-11-19)26(24,25)15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey
YEKDJDHVNPATSX-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.08826 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09554 185.0
[M+Na]+ 391.07748 192.5
[M-H]- 367.08098 193.3
[M+NH4]+ 386.12208 197.0
[M+K]+ 407.05142 186.1
[M+H-H2O]+ 351.08552 175.2
[M+HCOO]- 413.08646 200.8
[M+CH3COO]- 427.10211 212.6
[M+Na-2H]- 389.06293 186.8
[M]+ 368.08771 186.7
[M]- 368.08881 186.7
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.