CID 122552699

1-(3-bromopropyl)-4,4-difluoropiperidine hydrobromide

Structural Information

Molecular Formula
C8H14BrF2N
SMILES
C1CN(CCC1(F)F)CCCBr
InChI
InChI=1S/C8H14BrF2N/c9-4-1-5-12-6-2-8(10,11)3-7-12/h1-7H2
InChIKey
FHZZCJPFGZKBGA-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4,4-difluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

241.02777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.03505 146.0
[M+Na]+ 264.01699 155.9
[M-H]- 240.02049 147.8
[M+NH4]+ 259.06159 167.8
[M+K]+ 279.99093 145.2
[M+H-H2O]+ 224.02503 144.9
[M+HCOO]- 286.02597 161.1
[M+CH3COO]- 300.04162 188.4
[M+Na-2H]- 262.00244 151.8
[M]+ 241.02722 159.1
[M]- 241.02832 159.1
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