CID 167735760

N-[(3r)-4,4-difluoropyrrolidin-3-yl]-2,2,2-trifluoroacetamide hydrochloride

Structural Information

Molecular Formula
C6H7F5N2O
SMILES
C1[C@H](C(CN1)(F)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C6H7F5N2O/c7-5(8)2-12-1-3(5)13-4(14)6(9,10)11/h3,12H,1-2H2,(H,13,14)/t3-/m1/s1
InChIKey
XKUABSFMUVEQNB-GSVOUGTGSA-N
Compound name
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04785 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05513 137.8
[M+Na]+ 241.03707 145.6
[M-H]- 217.04057 132.3
[M+NH4]+ 236.08167 157.4
[M+K]+ 257.01101 143.0
[M+H-H2O]+ 201.04511 129.0
[M+HCOO]- 263.04605 151.9
[M+CH3COO]- 277.06170 183.7
[M+Na-2H]- 239.02252 140.5
[M]+ 218.04730 126.3
[M]- 218.04840 126.3
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.