CID 118798633

1823245-48-2

Structural Information

Molecular Formula
C6H9F4N
SMILES
C1CNCC1(CF)C(F)(F)F
InChI
InChI=1S/C6H9F4N/c7-3-5(6(8,9)10)1-2-11-4-5/h11H,1-4H2
InChIKey
RALOLKZCMREMEE-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.06711 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07439 130.8
[M+Na]+ 194.05633 138.4
[M-H]- 170.05983 126.3
[M+NH4]+ 189.10093 152.6
[M+K]+ 210.03027 136.0
[M+H-H2O]+ 154.06437 122.9
[M+HCOO]- 216.06531 145.5
[M+CH3COO]- 230.08096 173.6
[M+Na-2H]- 192.04178 135.3
[M]+ 171.06656 120.9
[M]- 171.06766 120.9
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

No patent data available for this compound.