CID 761523

M-3m3fbs

Structural Information

Molecular Formula
C16H16F3NO2S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKey
ZIIUUSVHCHPIQD-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

44530
Patents

343.0854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09268 180.9
[M+Na]+ 366.07462 190.4
[M+NH4]+ 361.11922 185.7
[M+K]+ 382.04856 183.1
[M-H]- 342.07812 179.7
[M+Na-2H]- 364.06007 185.5
[M]+ 343.08485 182.2
[M]- 343.08595 182.2
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

patents stripe