CID 11090167

122833-60-7

Structural Information

Molecular Formula
C8H12F6N2O4S2
SMILES
C1CC[C@H]([C@@H](C1)NS(=O)(=O)C(F)(F)F)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H12F6N2O4S2/c9-7(10,11)21(17,18)15-5-3-1-2-4-6(5)16-22(19,20)8(12,13)14/h5-6,15-16H,1-4H2/t5-,6-/m1/s1
InChIKey
GKSGSDYYIYURPD-PHDIDXHHSA-N
Compound name
1,1,1-trifluoro-N-[(1R,2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

378.01428 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.02156 168.7
[M+Na]+ 401.00350 173.4
[M-H]- 377.00700 162.4
[M+NH4]+ 396.04810 179.2
[M+K]+ 416.97744 168.6
[M+H-H2O]+ 361.01154 157.7
[M+HCOO]- 423.01248 169.3
[M+CH3COO]- 437.02813 210.8
[M+Na-2H]- 398.98895 172.2
[M]+ 378.01373 158.9
[M]- 378.01483 158.9
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