CID 105541345

4-bromo-2,3-dihydrospiro[indene-1,3'-pyrrolidine]-2',5'-dione

Structural Information

Molecular Formula
C12H10BrNO2
SMILES
C1CC2(CC(=O)NC2=O)C3=C1C(=CC=C3)Br
InChI
InChI=1S/C12H10BrNO2/c13-9-3-1-2-8-7(9)4-5-12(8)6-10(15)14-11(12)16/h1-3H,4-6H2,(H,14,15,16)
InChIKey
IRXDCBBMUNWZFN-UHFFFAOYSA-N
Compound name
7-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.9895 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99678 157.9
[M+Na]+ 301.97872 171.0
[M-H]- 277.98222 165.3
[M+NH4]+ 297.02332 182.6
[M+K]+ 317.95266 158.8
[M+H-H2O]+ 261.98676 159.2
[M+HCOO]- 323.98770 175.9
[M+CH3COO]- 338.00335 172.4
[M+Na-2H]- 299.96417 161.7
[M]+ 278.98895 173.7
[M]- 278.99005 173.7
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

patents stripe