CID 6479595

1,1,1-trifluoro-n-[5-[(e)-2-[4-(trifluoromethyl)phenyl]vinyl]-2-naphthyl]methanesulfonamide

Structural Information

Molecular Formula
C20H13F6NO2S
SMILES
C1=CC2=C(C=CC(=C2)NS(=O)(=O)C(F)(F)F)C(=C1)/C=C/C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H13F6NO2S/c21-19(22,23)16-8-5-13(6-9-16)4-7-14-2-1-3-15-12-17(10-11-18(14)15)27-30(28,29)20(24,25)26/h1-12,27H/b7-4+
InChIKey
KHWYFMZNDUHFDQ-QPJJXVBHSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.05713 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.06441 197.2
[M+Na]+ 468.04635 206.6
[M-H]- 444.04985 196.8
[M+NH4]+ 463.09095 207.3
[M+K]+ 484.02029 198.3
[M+H-H2O]+ 428.05439 184.2
[M+HCOO]- 490.05533 204.9
[M+CH3COO]- 504.07098 226.9
[M+Na-2H]- 466.03180 200.6
[M]+ 445.05658 192.0
[M]- 445.05768 192.0
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.