CID 3082449

36724-68-2

Structural Information

Molecular Formula
C7H7ClF3NO2
SMILES
C1C[C@H](N(C1)C(=O)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1
InChIKey
NUOYJPPISCCYDH-BYPYZUCNSA-N
Compound name
(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

766
Patents

229.01173 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01901 141.2
[M+Na]+ 252.00095 149.6
[M-H]- 228.00445 139.5
[M+NH4]+ 247.04555 160.4
[M+K]+ 267.97489 146.7
[M+H-H2O]+ 212.00899 134.0
[M+HCOO]- 274.00993 152.5
[M+CH3COO]- 288.02558 184.9
[M+Na-2H]- 249.98640 141.9
[M]+ 229.01118 137.0
[M]- 229.01228 137.0
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.