CID 100756960

1807937-75-2

Structural Information

Molecular Formula
C7H13F3N2O2S
SMILES
CN(C)S(=O)(=O)[C@@H]1CNC[C@H]1C(F)(F)F
InChI
InChI=1S/C7H13F3N2O2S/c1-12(2)15(13,14)6-4-11-3-5(6)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
YYUGNJGRBQFONV-PHDIDXHHSA-N
Compound name
(3S,4S)-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06499 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07227 148.0
[M+Na]+ 269.05421 155.2
[M-H]- 245.05771 146.4
[M+NH4]+ 264.09881 165.9
[M+K]+ 285.02815 153.4
[M+H-H2O]+ 229.06225 140.2
[M+HCOO]- 291.06319 159.0
[M+CH3COO]- 305.07884 190.1
[M+Na-2H]- 267.03966 148.7
[M]+ 246.06444 143.7
[M]- 246.06554 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.