CID 2755245

121788-73-6

Structural Information

Molecular Formula
C16H14F6N2O4S2
SMILES
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h1-10,13-14,23-24H/t13-,14-/m1/s1
InChIKey
XQAIGOHPAZPGOU-ZIAGYGMSSA-N
Compound name
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

476.0299 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.03718 194.2
[M+Na]+ 499.01912 195.3
[M+NH4]+ 494.06372 194.0
[M+K]+ 514.99306 191.7
[M-H]- 475.02262 187.4
[M+Na-2H]- 497.00457 194.9
[M]+ 476.02935 192.5
[M]- 476.03045 192.5
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