CID 131307250

2092723-85-6

Structural Information

Molecular Formula
C10H16BrF2NO2
SMILES
CC(C)(C)OC(=O)N1CC(C[C@@H]1CBr)(F)F
InChI
InChI=1S/C10H16BrF2NO2/c1-9(2,3)16-8(15)14-6-10(12,13)4-7(14)5-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
UXTHOEXKBYNHLE-SSDOTTSWSA-N
Compound name
tert-butyl (2R)-2-(bromomethyl)-4,4-difluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03326 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04054 160.7
[M+Na]+ 322.02248 172.3
[M-H]- 298.02598 163.3
[M+NH4]+ 317.06708 182.5
[M+K]+ 337.99642 162.1
[M+H-H2O]+ 282.03052 160.5
[M+HCOO]- 344.03146 175.4
[M+CH3COO]- 358.04711 196.9
[M+Na-2H]- 320.00793 163.6
[M]+ 299.03271 177.5
[M]- 299.03381 177.5
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.