CID 43828675

5-bromo-3-chloroisatoic anhydride

Structural Information

Molecular Formula
C8H3BrClNO3
SMILES
C1=C(C=C(C2=C1C(=O)OC(=O)N2)Cl)Br
InChI
InChI=1S/C8H3BrClNO3/c9-3-1-4-6(5(10)2-3)11-8(13)14-7(4)12/h1-2H,(H,11,13)
InChIKey
NDPSRKUREIYATA-UHFFFAOYSA-N
Compound name
6-bromo-8-chloro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

274.89847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.905746 140.2
[M+Na]+ 297.887688 156.5
[M-H]- 273.891194 146.7
[M+NH4]+ 292.932293 159.6
[M+K]+ 313.861628 144.4
[M+H-H2O]+ 257.895730 141.2
[M+HCOO]- 319.896671 155.4
[M+CH3COO]- 333.912321 189.2
[M+Na-2H]- 295.873136 150.2
[M]+ 274.89792142 162.7
[M]- 274.89901858 162.7
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