CID 66590

4-bromophthalic anhydride

Structural Information

Molecular Formula
C8H3BrO3
SMILES
C1=CC2=C(C=C1Br)C(=O)OC2=O
InChI
InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey
BCKVHOUUJMYIAN-UHFFFAOYSA-N
Compound name
5-bromo-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1898
Patents

225.92656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.93384 136.6
[M+Na]+ 248.91578 150.9
[M-H]- 224.91928 145.3
[M+NH4]+ 243.96038 160.3
[M+K]+ 264.88972 141.7
[M+H-H2O]+ 208.92382 138.1
[M+HCOO]- 270.92476 158.3
[M+CH3COO]- 284.94041 184.3
[M+Na-2H]- 246.90123 144.8
[M]+ 225.92601 157.4
[M]- 225.92711 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe