CID 373412

Nsc649667

Structural Information

Molecular Formula
C11H4Br2O3
SMILES
C1=CC2=C(C=CC1=O)C(=O)C(=C(C2=O)Br)Br
InChI
InChI=1S/C11H4Br2O3/c12-8-9(13)11(16)7-4-2-5(14)1-3-6(7)10(8)15/h1-4H
InChIKey
MXNJXAAYHKFDPH-UHFFFAOYSA-N
Compound name
2,3-dibromobenzo[7]annulene-1,4,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.85272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.86000 140.2
[M+Na]+ 364.84194 151.3
[M-H]- 340.84544 148.9
[M+NH4]+ 359.88654 158.1
[M+K]+ 380.81588 140.5
[M+H-H2O]+ 324.84998 149.1
[M+HCOO]- 386.85092 155.4
[M+CH3COO]- 400.86657 210.6
[M+Na-2H]- 362.82739 146.8
[M]+ 341.85217 171.3
[M]- 341.85327 171.3
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.