CID 276355

142436-72-4

Structural Information

Molecular Formula
C11H10Br2O2
SMILES
C1C2C3C4C1C(C2C(=O)C3Br)C(=O)C4Br
InChI
InChI=1S/C11H10Br2O2/c12-8-4-2-1-3-5(4)9(13)11(15)7(3)6(2)10(8)14/h2-9H,1H2
InChIKey
ASRUXQHQIUKJHH-UHFFFAOYSA-N
Compound name
4,10-dibromotetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.90475 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.91203 168.3
[M+Na]+ 354.89397 180.9
[M-H]- 330.89747 175.9
[M+NH4]+ 349.93857 194.9
[M+K]+ 370.86791 167.7
[M+H-H2O]+ 314.90201 179.3
[M+HCOO]- 376.90295 181.2
[M+CH3COO]- 390.91860 181.9
[M+Na-2H]- 352.87942 168.2
[M]+ 331.90420 201.6
[M]- 331.90530 201.6
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.