CID 73681

51371-59-6

Structural Information

Molecular Formula
C8H6Br2O4
SMILES
C12C(C3C(C(C1O3)Br)Br)C(=O)OC2=O
InChI
InChI=1S/C8H6Br2O4/c9-3-4(10)6-2-1(5(3)13-6)7(11)14-8(2)12/h1-6H
InChIKey
OCPGECKNMMXUPB-UHFFFAOYSA-N
Compound name
8,9-dibromo-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.86328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.870556 157.8
[M+Na]+ 346.852498 170.6
[M-H]- 322.856004 166.3
[M+NH4]+ 341.897103 180.4
[M+K]+ 362.826438 159.0
[M+H-H2O]+ 306.860540 168.9
[M+HCOO]- 368.861481 170.8
[M+CH3COO]- 382.877131 172.2
[M+Na-2H]- 344.837946 161.1
[M]+ 323.86273142 192.8
[M]- 323.86382858 192.8
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.