CID 79244

N-(bromomethyl)phthalimide

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CBr
InChI
InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
InChIKey
UUSLLECLCKTJQF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1018
Patents

238.95819 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 145.2
[M+Na]+ 261.94741 148.5
[M+NH4]+ 256.99201 149.9
[M+K]+ 277.92135 149.7
[M-H]- 237.95091 144.8
[M+Na-2H]- 259.93286 146.8
[M]+ 238.95764 144.2
[M]- 238.95874 144.2
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

patents stripe