CID 6479593

Chembl56153

Structural Information

Molecular Formula
C19H14F3NO2S
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=CC3=C2C=CC(=C3)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C19H14F3NO2S/c20-19(21,22)26(24,25)23-17-11-12-18-15(7-4-8-16(18)13-17)10-9-14-5-2-1-3-6-14/h1-13,23H/b10-9+
InChIKey
VGMFGRCGQUJRPG-MDZDMXLPSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-phenylethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.06973 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.07701 183.4
[M+Na]+ 400.05895 192.0
[M-H]- 376.06245 186.8
[M+NH4]+ 395.10355 196.3
[M+K]+ 416.03289 184.4
[M+H-H2O]+ 360.06699 173.0
[M+HCOO]- 422.06793 196.4
[M+CH3COO]- 436.08358 214.9
[M+Na-2H]- 398.04440 188.6
[M]+ 377.06918 181.7
[M]- 377.07028 181.7
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.