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]+ 324.87056 157.8
[M+Na]+ 346.85250 170.6
[M-H]- 322.85600 166.3
[M+NH4]+ 341.89710 180.4
[M+K]+ 362.82644 159.0
[M+H-H2O]+ 306.86054 168.9
[M+HCOO]- 368.86148 170.8
[M+CH3COO]- 382.87713 172.2
[M+Na-2H]- 344.83795 161.1
[M]+ 323.86273 192.8
[M]- 323.86383 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.