CID 25419109

3-bromoisatoic anhydride

Structural Information

Molecular Formula
C8H4BrNO3
SMILES
C1=CC2=C(C(=C1)Br)NC(=O)OC2=O
InChI
InChI=1S/C8H4BrNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
InChIKey
YRJWMRDVBYWGKK-UHFFFAOYSA-N
Compound name
8-bromo-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

240.93745 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94473 135.7
[M+Na]+ 263.92667 150.3
[M-H]- 239.93017 142.0
[M+NH4]+ 258.97127 155.2
[M+K]+ 279.90061 139.9
[M+H-H2O]+ 223.93471 135.9
[M+HCOO]- 285.93565 155.4
[M+CH3COO]- 299.95130 184.4
[M+Na-2H]- 261.91212 146.7
[M]+ 240.93690 156.0
[M]- 240.93800 156.0
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