CID 91647676

1820574-25-1

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC2=O)Cl
InChI
InChI=1S/C10H8ClNO2/c11-8-7(9(13)12-10(8)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13,14)/t7-,8-/m1/s1
InChIKey
BIWSBXBZNXQEDE-HTQZYQBOSA-N
Compound name
(3R,4S)-3-chloro-4-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 142.2
[M+Na]+ 232.01357 152.0
[M-H]- 208.01707 146.6
[M+NH4]+ 227.05817 161.8
[M+K]+ 247.98751 146.6
[M+H-H2O]+ 192.02161 136.4
[M+HCOO]- 254.02255 159.1
[M+CH3COO]- 268.03820 180.2
[M+Na-2H]- 229.99902 144.7
[M]+ 209.02380 141.0
[M]- 209.02490 141.0
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.