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

9
Patents

157.05147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05875 126.2
[M+Na]+ 180.04069 134.2
[M-H]- 156.04419 121.8
[M+NH4]+ 175.08529 148.6
[M+K]+ 196.01463 132.1
[M+H-H2O]+ 140.04873 118.5
[M+HCOO]- 202.04967 141.3
[M+CH3COO]- 216.06532 170.6
[M+Na-2H]- 178.02614 131.2
[M]+ 157.05092 115.9
[M]- 157.05202 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