CID 10878830

27611-39-8

Structural Information

Molecular Formula
C9H5BrO2
SMILES
C1C(=O)C2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C9H5BrO2/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3H,4H2
InChIKey
ADTNQTYUZPHLAS-UHFFFAOYSA-N
Compound name
5-bromoindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

223.9473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95458 140.0
[M+Na]+ 246.93652 143.5
[M+NH4]+ 241.98112 145.4
[M+K]+ 262.91046 144.6
[M-H]- 222.94002 140.4
[M+Na-2H]- 244.92197 142.2
[M]+ 223.94675 139.3
[M]- 223.94785 139.3
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

patents stripe