CID 334063

2-(2-bromobenzyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)Br
InChI
InChI=1S/C15H10BrNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2
InChIKey
QKLBSIUUGLLJIS-UHFFFAOYSA-N
Compound name
2-[(2-bromophenyl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

314.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 163.8
[M+Na]+ 337.97872 177.0
[M-H]- 313.98222 173.3
[M+NH4]+ 333.02332 183.9
[M+K]+ 353.95266 164.8
[M+H-H2O]+ 297.98676 163.2
[M+HCOO]- 359.98770 184.1
[M+CH3COO]- 374.00335 178.5
[M+Na-2H]- 335.96417 168.6
[M]+ 314.98895 183.5
[M]- 314.99005 183.5
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