CID 86812283

1807938-88-0

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 156.3
[M+Na]+ 309.92410 160.0
[M+NH4]+ 304.96870 160.6
[M+K]+ 325.89804 160.8
[M-H]- 285.92760 156.8
[M+Na-2H]- 307.90955 158.5
[M]+ 286.93433 155.9
[M]- 286.93543 155.9
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.