CID 83914145

2260932-61-2

Structural Information

Molecular Formula
C5H7F4N
SMILES
C1CNCC1(C(F)(F)F)F
InChI
InChI=1S/C5H7F4N/c6-4(5(7,8)9)1-2-10-3-4/h10H,1-3H2
InChIKey
LPXDJYALXFYGBY-UHFFFAOYSA-N
Compound name
3-fluoro-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.05147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.058746 126.2
[M+Na]+ 180.040688 134.2
[M-H]- 156.044194 121.8
[M+NH4]+ 175.085293 148.6
[M+K]+ 196.014628 132.1
[M+H-H2O]+ 140.048730 118.5
[M+HCOO]- 202.049671 141.3
[M+CH3COO]- 216.065321 170.6
[M+Na-2H]- 178.026136 131.2
[M]+ 157.05092142 115.9
[M]- 157.05201858 115.9
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