CID 84716632

(2s,4s)-4-fluoro-2-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H7F4N
SMILES
C1C(CNC1C(F)(F)F)F
InChI
InChI=1S/C5H7F4N/c6-3-1-4(10-2-3)5(7,8)9/h3-4,10H,1-2H2
InChIKey
QDDKINDDOJXIML-UHFFFAOYSA-N
Compound name
4-fluoro-2-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

157.05147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05875 126.6
[M+Na]+ 180.04069 134.6
[M-H]- 156.04419 122.1
[M+NH4]+ 175.08529 147.2
[M+K]+ 196.01463 132.2
[M+H-H2O]+ 140.04873 118.2
[M+HCOO]- 202.04967 141.5
[M+CH3COO]- 216.06532 172.1
[M+Na-2H]- 178.02614 129.7
[M]+ 157.05092 116.3
[M]- 157.05202 116.3
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.