CID 6479594

Chembl56633

Structural Information

Molecular Formula
C19H13ClF3NO2S
SMILES
C1=CC2=C(C=CC(=C2)NS(=O)(=O)C(F)(F)F)C(=C1)/C=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H13ClF3NO2S/c20-16-8-5-13(6-9-16)4-7-14-2-1-3-15-12-17(10-11-18(14)15)24-27(25,26)19(21,22)23/h1-12,24H/b7-4+
InChIKey
PTDROOOLFCRFFH-QPJJXVBHSA-N
Compound name
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.03076 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.03804 189.1
[M+Na]+ 434.01998 199.3
[M-H]- 410.02348 192.9
[M+NH4]+ 429.06458 201.9
[M+K]+ 449.99392 190.4
[M+H-H2O]+ 394.02802 179.7
[M+HCOO]- 456.02896 197.7
[M+CH3COO]- 470.04461 219.6
[M+Na-2H]- 432.00543 193.3
[M]+ 411.03021 190.3
[M]- 411.03131 190.3
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.