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]+ 328.992016 165.2
[M+Na]+ 350.973958 178.1
[M-H]- 326.977464 175.8
[M+NH4]+ 346.018563 184.9
[M+K]+ 366.947898 165.9
[M+H-H2O]+ 310.982000 163.6
[M+HCOO]- 372.982941 187.9
[M+CH3COO]- 386.998591 179.9
[M+Na-2H]- 348.959406 170.9
[M]+ 327.98419142 185.1
[M]- 327.98528858 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.