CID 6479597

Chembl56516

Structural Information

Molecular Formula
C23H16F3NO2S
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C/C3=CC=CC4=C3C=CC(=C4)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C23H16F3NO2S/c24-23(25,26)30(28,29)27-21-12-13-22-18(6-3-7-20(22)15-21)11-9-16-8-10-17-4-1-2-5-19(17)14-16/h1-15,27H/b11-9+
InChIKey
ATHGVPHRNPUWDL-PKNBQFBNSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-naphthalen-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.0854 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.09268 197.9
[M+Na]+ 450.07462 207.7
[M-H]- 426.07812 202.3
[M+NH4]+ 445.11922 209.7
[M+K]+ 466.04856 199.0
[M+H-H2O]+ 410.08266 186.6
[M+HCOO]- 472.08360 210.4
[M+CH3COO]- 486.09925 225.5
[M+Na-2H]- 448.06007 204.5
[M]+ 427.08485 198.1
[M]- 427.08595 198.1
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

No patent data available for this compound.