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]+ 158.058746 126.6
[M+Na]+ 180.040688 134.6
[M-H]- 156.044194 122.1
[M+NH4]+ 175.085293 147.2
[M+K]+ 196.014628 132.2
[M+H-H2O]+ 140.048730 118.2
[M+HCOO]- 202.049671 141.5
[M+CH3COO]- 216.065321 172.1
[M+Na-2H]- 178.026136 129.7
[M]+ 157.05092142 116.3
[M]- 157.05201858 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

patents stripe