CID 44153

2,3,6,7-tetrabromobiphenylene

Structural Information

Molecular Formula
C12H4Br4
SMILES
C1=C2C(=CC(=C1Br)Br)C3=CC(=C(C=C23)Br)Br
InChI
InChI=1S/C12H4Br4/c13-9-1-5-6(2-10(9)14)8-4-12(16)11(15)3-7(5)8/h1-4H
InChIKey
YAPJYXGESQXVQY-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrabromobiphenylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.70465 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.71193 136.3
[M+Na]+ 486.69387 142.9
[M-H]- 462.69737 141.3
[M+NH4]+ 481.73847 145.3
[M+K]+ 502.66781 132.5
[M+H-H2O]+ 446.70191 153.3
[M+HCOO]- 508.70285 142.3
[M+CH3COO]- 522.71850 144.9
[M+Na-2H]- 484.67932 141.2
[M]+ 463.70410 177.4
[M]- 463.70520 177.4
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.