CID 135448417

98841-63-5

Structural Information

Molecular Formula
C15H9BrN2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H9BrN2O3/c16-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8,19H/b17-8+
InChIKey
FJJQCLDPXCSCAR-CAOOACKPSA-N
Compound name
2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.97964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98692 168.0
[M+Na]+ 366.96886 181.1
[M-H]- 342.97236 177.6
[M+NH4]+ 362.01346 186.6
[M+K]+ 382.94280 168.6
[M+H-H2O]+ 326.97690 166.6
[M+HCOO]- 388.97784 189.4
[M+CH3COO]- 402.99349 208.2
[M+Na-2H]- 364.95431 172.8
[M]+ 343.97909 187.9
[M]- 343.98019 187.9
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.