CID 6479596

Chembl59436

Structural Information

Molecular Formula
C20H16F3NO3S
SMILES
COC1=CC=CC(=C1)/C=C/C2=CC=CC3=C2C=CC(=C3)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+
InChIKey
AGZGVZURSIWOCV-CMDGGOBGSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.0803 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08758 191.5
[M+Na]+ 430.06952 200.2
[M-H]- 406.07302 195.0
[M+NH4]+ 425.11412 203.3
[M+K]+ 446.04346 193.2
[M+H-H2O]+ 390.07756 180.8
[M+HCOO]- 452.07850 204.3
[M+CH3COO]- 466.09415 221.2
[M+Na-2H]- 428.05497 195.8
[M]+ 407.07975 191.9
[M]- 407.08085 191.9
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.