CID 211312

3-(3-bromophenyl)-1-ethylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C12H12BrNO2
SMILES
CCN1C(=O)CC(C1=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H12BrNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3
InChIKey
SKUVHUHIBWHUSB-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1-ethylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01241 154.5
[M+Na]+ 303.99435 167.0
[M-H]- 279.99785 163.0
[M+NH4]+ 299.03895 175.1
[M+K]+ 319.96829 155.6
[M+H-H2O]+ 264.00239 154.1
[M+HCOO]- 326.00333 174.6
[M+CH3COO]- 340.01898 195.8
[M+Na-2H]- 301.97980 157.5
[M]+ 281.00458 173.0
[M]- 281.00568 173.0
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.