CID 3057456

74039-33-1

Structural Information

Molecular Formula
C14H15Br2NO4
SMILES
C1C[C@H](N(C1)OC(=O)C2=CC=CC=C2)C(=O)OC(CBr)Br
InChI
InChI=1S/C14H15Br2NO4/c15-9-12(16)20-14(19)11-7-4-8-17(11)21-13(18)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12?/m0/s1
InChIKey
AKMPBAGLPBVDJC-PXYINDEMSA-N
Compound name
1,2-dibromoethyl (2S)-1-benzoyloxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.93677 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.94405 173.0
[M+Na]+ 441.92599 180.2
[M-H]- 417.92949 180.3
[M+NH4]+ 436.97059 187.9
[M+K]+ 457.89993 166.6
[M+H-H2O]+ 401.93403 179.9
[M+HCOO]- 463.93497 185.3
[M+CH3COO]- 477.95062 217.0
[M+Na-2H]- 439.91144 174.0
[M]+ 418.93622 206.9
[M]- 418.93732 206.9
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

No patent data available for this compound.