CID 146049360

2411178-85-1

Structural Information

Molecular Formula
C11H17BrFNO3
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)CBr)F
InChI
InChI=1S/C11H17BrFNO3/c1-11(2,3)17-10(16)14-6-7(13)4-8(14)9(15)5-12/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey
QIBNPAYJBDGZTR-YUMQZZPRSA-N
Compound name
tert-butyl (2S,4S)-2-(2-bromoacetyl)-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03757 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04485 165.6
[M+Na]+ 332.02679 175.7
[M-H]- 308.03029 169.1
[M+NH4]+ 327.07139 184.9
[M+K]+ 348.00073 165.8
[M+H-H2O]+ 292.03483 164.9
[M+HCOO]- 354.03577 180.3
[M+CH3COO]- 368.05142 199.5
[M+Na-2H]- 330.01224 166.2
[M]+ 309.03702 183.5
[M]- 309.03812 183.5
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.