CID 86812283

Rac-(3r,4s)-3-(4-bromophenyl)-4-chloropyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H7BrClNO2
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)NC2=O)Cl)Br
InChI
InChI=1S/C10H7BrClNO2/c11-6-3-1-5(2-4-6)7-8(12)10(15)13-9(7)14/h1-4,7-8H,(H,13,14,15)/t7-,8-/m1/s1
InChIKey
DIPCPOHTPIZUSJ-HTQZYQBOSA-N
Compound name
(3S,4R)-3-(4-bromophenyl)-4-chloropyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.93488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.94216 152.6
[M+Na]+ 309.92410 166.4
[M-H]- 285.92760 159.8
[M+NH4]+ 304.96870 173.1
[M+K]+ 325.89804 152.6
[M+H-H2O]+ 269.93214 153.2
[M+HCOO]- 331.93308 167.4
[M+CH3COO]- 345.94873 191.4
[M+Na-2H]- 307.90955 155.7
[M]+ 286.93433 170.4
[M]- 286.93543 170.4
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.