CID 154575264

3-(3,3-difluorocyclobutyl)pyrrolidine

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CNCC1C2CC(C2)(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)3-7(4-8)6-1-2-11-5-6/h6-7,11H,1-5H2
InChIKey
UNWNQSGLXVRRIC-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 131.3
[M+Na]+ 184.090828 136.9
[M-H]- 160.094334 132.5
[M+NH4]+ 179.135433 147.2
[M+K]+ 200.064768 137.0
[M+H-H2O]+ 144.098870 120.0
[M+HCOO]- 206.099811 147.6
[M+CH3COO]- 220.115461 177.1
[M+Na-2H]- 182.076276 134.1
[M]+ 161.10106142 131.7
[M]- 161.10215858 131.7
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