CID 5388848

Nsc639669

Structural Information

Molecular Formula
C15H9BrN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrN2O2/c16-11-7-5-10(6-8-11)9-17-18-14(19)12-3-1-2-4-13(12)15(18)20/h1-9H/b17-9+
InChIKey
DQFSZGUXLGKJAO-RQZCQDPDSA-N
Compound name
2-[(E)-(4-bromophenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.98474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.99202 165.2
[M+Na]+ 350.97396 178.1
[M-H]- 326.97746 175.8
[M+NH4]+ 346.01856 184.9
[M+K]+ 366.94790 165.9
[M+H-H2O]+ 310.98200 163.6
[M+HCOO]- 372.98294 187.9
[M+CH3COO]- 386.99859 179.9
[M+Na-2H]- 348.95941 170.9
[M]+ 327.98419 185.1
[M]- 327.98529 185.1
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.