CID 132343944

1-(2-bromoethyl)-4,4-difluoropiperidine hydrobromide

Structural Information

Molecular Formula
C7H12BrF2N
SMILES
C1CN(CCC1(F)F)CCBr
InChI
InChI=1S/C7H12BrF2N/c8-3-6-11-4-1-7(9,10)2-5-11/h1-6H2
InChIKey
WNDLQFLDRVGTKS-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4,4-difluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.01212 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01940 141.4
[M+Na]+ 250.00134 151.8
[M-H]- 226.00484 143.5
[M+NH4]+ 245.04594 163.8
[M+K]+ 265.97528 141.3
[M+H-H2O]+ 210.00938 140.6
[M+HCOO]- 272.01032 156.9
[M+CH3COO]- 286.02597 185.6
[M+Na-2H]- 247.98679 147.8
[M]+ 227.01157 154.3
[M]- 227.01267 154.3
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