CID 222037

2-(3-bromo-2-oxopropyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CBr
InChI
InChI=1S/C11H8BrNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2
InChIKey
AZJGOLHFNVIVMO-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-oxopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

280.96875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 152.3
[M+Na]+ 303.95797 165.2
[M-H]- 279.96147 158.6
[M+NH4]+ 299.00257 173.6
[M+K]+ 319.93191 154.1
[M+H-H2O]+ 263.96601 152.4
[M+HCOO]- 325.96695 171.9
[M+CH3COO]- 339.98260 195.2
[M+Na-2H]- 301.94342 157.0
[M]+ 280.96820 172.7
[M]- 280.96930 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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