CID 1238226

Brn 4764507

Structural Information

Molecular Formula
C17H8Br2N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4Br)Br)C(=O)O3
InChI
InChI=1S/C17H8Br2N2O4/c18-8-5-11-14(12(19)6-8)20-13(25-17(11)24)7-21-15(22)9-3-1-2-4-10(9)16(21)23/h1-6H,7H2
InChIKey
HACKEWXNRCOWMH-UHFFFAOYSA-N
Compound name
2-[(6,8-dibromo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.88507 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.89235 174.3
[M+Na]+ 484.87429 186.9
[M-H]- 460.87779 184.1
[M+NH4]+ 479.91889 188.3
[M+K]+ 500.84823 173.6
[M+H-H2O]+ 444.88233 181.7
[M+HCOO]- 506.88327 187.1
[M+CH3COO]- 520.89892 187.1
[M+Na-2H]- 482.85974 179.0
[M]+ 461.88452 211.8
[M]- 461.88562 211.8
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.