CID 89500824

3-(4,4-difluorocyclohexyl)pyrrolidine

Structural Information

Molecular Formula
C10H17F2N
SMILES
C1CC(CCC1C2CCNC2)(F)F
InChI
InChI=1S/C10H17F2N/c11-10(12)4-1-8(2-5-10)9-3-6-13-7-9/h8-9,13H,1-7H2
InChIKey
RKTFEFAZEPDYTF-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.1329 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14018 142.7
[M+Na]+ 212.12212 147.4
[M-H]- 188.12562 142.9
[M+NH4]+ 207.16672 163.5
[M+K]+ 228.09606 144.0
[M+H-H2O]+ 172.13016 134.5
[M+HCOO]- 234.13110 157.0
[M+CH3COO]- 248.14675 177.9
[M+Na-2H]- 210.10757 143.8
[M]+ 189.13235 130.9
[M]- 189.13345 130.9
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